Geometry & MOs

Info

ID:	30722
PubChem CID:	841766
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	309.076786
ΔH_f, kcal/mol:	-20.82
Dipole, Da:	6.8
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R)-6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C=C(C=N2)[N+](=O)[O-]

DOS

IR

Vibrations