Geometry & MOs

Info

ID:	40548
PubChem CID:	8144312
Reduced:	N2O3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	4.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.141233
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

DOS

IR

Vibrations