Geometry & MOs

Info

ID:	38533
PubChem CID:	8137011
Reduced:	NO2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	2.4
IP(EA), eV:	-8.28(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NCC(=O)NC2CC2)OC

DOS

IR

Vibrations