Geometry & MOs

Info

ID:

447128

PubChem CID:

135280521

Reduced:

ON5H23C25 (1)

Stoich.:

AB5C23D25 (1)

Weight, g/mol:

638.358054

ΔHf, kcal/mol:

90.87

Dipole, Da:

6.29

IP(EA), eV:

 -8.77(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-prop-2-enoylpyrrolidin-3-yl)amino]-2-methyl-5-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=CC4=C(C=C3)N(C=C4C#N)C5CCN(CC5)C(=O)C=C

DOS

IR

Vibrations