Geometry & MOs

Info

ID:	129444
PubChem CID:	51072604
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	305.162708
ΔH_f, kcal/mol:	-66.74
Dipole, Da:	4.09
IP(EA), eV:	-8.88(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-[(4-oxo-4-phenylbutanoyl)amino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C)C(=O)C=C(C)C

DOS

IR

Vibrations