Geometry & MOs

Info

ID:	196948
PubChem CID:	78899968
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	-66.49
Dipole, Da:	6.91
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)ethyl-methylamino]-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=O)C3=CC(=NN3C)C(C)(C)C

DOS

IR

Vibrations