Geometry & MOs

Info

ID:	367480
PubChem CID:	127324811
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-124.18
Dipole, Da:	1.99
IP(EA), eV:	-8.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4-phenylpyrrolidin-1-yl)-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)CCN2CCN(CC2)C(=O)C3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations