Geometry & MOs

Info

ID:	349295
PubChem CID:	127275082
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	359.220892
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	4.65
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(2-methyl-1,4-oxazepan-4-yl)acetyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations