Geometry & MOs

Info

ID:	158003
PubChem CID:	56459392
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	412.216221
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	7.86
IP(EA), eV:	-8.75(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(morpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC(=O)NC3=CC=CC(=C3)C#C

DOS

IR

Vibrations