Geometry & MOs

Info

ID:	306202
PubChem CID:	125002599
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	402.241962
ΔH_f, kcal/mol:	26.97
Dipole, Da:	5.09
IP(EA), eV:	-8.8(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-1-[6-[(2S)-1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-2-yl]pyridin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)[C@@H]2CCCN(C2)C(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations