Geometry & MOs

Info

ID:	244414
PubChem CID:	99350737
Reduced:	NO2C14H14 (2)
Stoich.:	AB2C14D14 (2)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	4.62
IP(EA), eV:	-7.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]-3-oxopropyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)C3=C(C4=CC=CC=C4O3)COC5=CC=CC=C5

DOS

IR

Vibrations