Geometry & MOs

Info

ID:	244395
PubChem CID:	99350597
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	-110.38
Dipole, Da:	3.88
IP(EA), eV:	-7.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-cyanophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations