Geometry & MOs

Info

ID:	37205
PubChem CID:	8018234
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	370.131742
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	3.69
IP(EA), eV:	-8.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)NC(=O)[C@]23NNC4=CC=CC=C4O3)C

DOS

IR

Vibrations