Geometry & MOs

Info

ID:	69919
PubChem CID:	47205755
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	280.134241
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	3.69
IP(EA), eV:	-9.03(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1H-pyrrol-2-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(C2C1CCCC2)C(=O)C3=C(N(N=C3)C)C

DOS

IR

Vibrations