Geometry & MOs

Info

ID:	164820
PubChem CID:	74458242
Reduced:	O2N3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	381.217818
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755394
Charge, e:	1

Chem-info

IUPAC name:

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[NH+](CC(=O)N)CC(=O)N(CC1=CC=CC=C1)C(C)C2CC2

DOS

IR

Vibrations