Geometry & MOs

Info

ID:	233698
PubChem CID:	92092935
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	411.138305
ΔH_f, kcal/mol:	-7.27
Dipole, Da:	5.61
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorobenzoyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations