Geometry & MOs

Info

ID:	186537
PubChem CID:	77443290
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	463.22712
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	9.24
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxyphenyl)methyl]-5-(3,5-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(OC1C2=CC3=C4N2NC=NC4=NC(=O)C(=C3)C)CO

DOS

IR

Vibrations