Geometry & MOs

Info

ID:	74013
PubChem CID:	48421354
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-61.03
Dipole, Da:	3.74
IP(EA), eV:	-9.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC2C1N(CCC2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations