Geometry & MOs

Info

ID:	338661
PubChem CID:	127259672
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	8.82
Dipole, Da:	4.29
IP(EA), eV:	-9.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-cyanophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)/C(=C/C2=CC=C(C=C2)C#N)/NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations