Geometry & MOs

Info

ID:	74657
PubChem CID:	48422250
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-169.56
Dipole, Da:	4.83
IP(EA), eV:	-8.33(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(3-cyanoanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations