Geometry & MOs

Info

ID:	243533
PubChem CID:	99226456
Reduced:	SN2O3H20C24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	8.94
IP(EA), eV:	-8.68(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC3=CC=C(C=C3)SCC4=CN=CC=C4

DOS

IR

Vibrations