Geometry & MOs

Info

ID:	332165
PubChem CID:	127250451
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	391.169605
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	8.67
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[(4-fluorophenyl)methyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N(C)C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations