Geometry & MOs

Info

ID:	244390
PubChem CID:	99350567
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-112.3
Dipole, Da:	1.5
IP(EA), eV:	-7.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)[C@@H]3CC(=O)N(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations