Geometry & MOs

Info

ID:	188823
PubChem CID:	77770898
Reduced:	ClNO2C27H30 (1)
Stoich.:	ABC2D27E30 (1)
Weight, g/mol:	524.242356
ΔH_f, kcal/mol:	-40.3
Dipole, Da:	3.65
IP(EA), eV:	-8.58(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-benzoylphenyl)-1-[(1-cyano-3-phenylpropyl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C=CC=N2)CC(C=C)C3=CC=CC=C3)OC4CCCC4.Cl

DOS

IR

Vibrations