Geometry & MOs

Info

ID:	133486
PubChem CID:	51534245
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-118.26
Dipole, Da:	8.62
IP(EA), eV:	-9.05(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)CCCN2C(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O

DOS

IR

Vibrations