Geometry & MOs

Info

ID:	189045
PubChem CID:	77807895
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	461.166331
ΔH_f, kcal/mol:	-118.99
Dipole, Da:	3.28
IP(EA), eV:	-9.18(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4-difluorophenyl)ethyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CCC4C3(C=CC(=O)N4C)C)C)NC(=O)NC

DOS

IR

Vibrations