Geometry & MOs

Info

ID:	54801
PubChem CID:	17389301
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	4.88
IP(EA), eV:	-8.14(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(Z)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]-4-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1N/C=C\2/C=C(C=CC2=O)OC

DOS

IR

Vibrations