Geometry & MOs

Info

ID:	243534
PubChem CID:	99226468
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-63.46
Dipole, Da:	3.84
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN1C=C(C2=CC=CC=C21)C(=O)N3CCC[C@@H]3C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations