Geometry & MOs

Info

ID:	35663
PubChem CID:	7980168
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	331.097521
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	3.74
IP(EA), eV:	-9.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)N(C)C2(CCCCC2)C#N

DOS

IR

Vibrations