Geometry & MOs

Info

ID:	195912
PubChem CID:	78748546
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	366.121572
ΔH_f, kcal/mol:	-146.44
Dipole, Da:	2.9
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)NC(=O)CC#N

DOS

IR

Vibrations