Geometry & MOs

Info

ID:	244402
PubChem CID:	99350617
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	404.105833
ΔH_f, kcal/mol:	-157.81
Dipole, Da:	0.72
IP(EA), eV:	-8.4(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,5-dichlorophenyl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N2C[C@@H](CC2=O)C(=O)NC[C@H]3CCN(C3)C4=CC=CC=C4OC)OC

DOS

IR

Vibrations