Geometry & MOs

Info

ID:	176926
PubChem CID:	76114683
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	367.116821
ΔH_f, kcal/mol:	-154.69
Dipole, Da:	1.86
IP(EA), eV:	-9.34(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyanophenyl)carbamoylamino]-4-oxo-4-phenylmethoxybutanoic acid

Drug info:

PubChemData

Smile

CC1C(OC(N1C(=O)C(C2CCCC2)(C3=CC=CC=C3C)O)(C)C)C

DOS

IR

Vibrations