Geometry & MOs

Info

ID:	37226
PubChem CID:	8018524
Reduced:	N2O7H16C18 (1)
Stoich.:	A2B7C16D18 (1)
Weight, g/mol:	314.163043
ΔH_f, kcal/mol:	-171.7
Dipole, Da:	5.09
IP(EA), eV:	-9.38(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations