Geometry & MOs

Info

ID:	244391
PubChem CID:	99350584
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	4.55
IP(EA), eV:	-7.64(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)NC[C@H]2CCN(C2)C3=CC=CC=C3OC)C

DOS

IR

Vibrations