Geometry & MOs

Info

ID:	37193
PubChem CID:	8018190
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-64.88
Dipole, Da:	3.3
IP(EA), eV:	-9.44(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations