Geometry & MOs

Info

ID:

439522

PubChem CID:

135229298

Reduced:

ClFO5N16C38H42 (1)

Stoich.:

ABC5D16E38F42 (1)

Weight, g/mol:

447.201888

ΔHf, kcal/mol:

35.95

Dipole, Da:

7.85

IP(EA), eV:

 -7.87(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[8-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-oxo-3-propan-2-ylimidazo[1,2-c]pyrimidin-6-yl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(N=C2N1N=C(N=C2NC3=CN(N=C3OC)C)N4CC(C(C4)F)NC(=O)C=C)/C=C/C(=O)N5CC6C(C5)C6CN7C=C(C8=NC=C(N8C7=O)Cl)NC9=CN(N=C9OC)C

DOS

IR

Vibrations