Geometry & MOs

Info

ID:	431349
PubChem CID:	135171424
Reduced:	FNC8H10 (1)
Stoich.:	ABC8D10 (1)
Weight, g/mol:	599.229932
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	4.73
IP(EA), eV:	-9.15(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[[5-(dimethoxymethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-(pyrrolidin-1-ylmethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CCC1)F)C=N

DOS

IR

Vibrations