Geometry & MOs

Info

ID:	356816
PubChem CID:	127292356
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-156.03
Dipole, Da:	2.44
IP(EA), eV:	-8.99(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-4-ylmethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1CCCCO1)C(=O)NCC2=C3C(=CC=C2)OCO3

DOS

IR

Vibrations