Geometry & MOs

Info

ID:	418509
PubChem CID:	135105380
Reduced:	SO3N7C30H35 (1)
Stoich.:	AB3C7D30E35 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-33.36
Dipole, Da:	5.0
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CN=C(N=C2)C3=CC=CS3)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations