Geometry & MOs

Info

ID:

442904

PubChem CID:

135256853

Reduced:

FON10H21C24 (1)

Stoich.:

ABC10D21E24 (1)

Weight, g/mol:

512.219684

ΔHf, kcal/mol:

102.31

Dipole, Da:

6.5

IP(EA), eV:

 -8.89(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[(5-ethyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]-N-[[6-(4-fluoropyrazol-1-yl)pyridin-3-yl]methyl]-3-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3=CN=C(C=C3)C(=O)NCC4=CN=C(C=C4)N5C=C(C=N5)F

DOS

IR

Vibrations