Geometry & MOs

Info

ID:	244396
PubChem CID:	99350599
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	361.179027
ΔH_f, kcal/mol:	13.31
Dipole, Da:	4.93
IP(EA), eV:	-7.87(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@@H](C2)CNC(=O)/C=C/C3=CC=CC=C3C#N

DOS

IR

Vibrations