Geometry & MOs

Info

ID:	356793
PubChem CID:	127292333
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-84.59
Dipole, Da:	3.56
IP(EA), eV:	-9.37(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CC=C2CCN1C(=O)NC3CCOCC3

DOS

IR

Vibrations