Geometry & MOs

Info

ID:	30525
PubChem CID:	841451
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-162.43
Dipole, Da:	1.63
IP(EA), eV:	-9.39(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)C(=O)N)C(=O)O)C

DOS

IR

Vibrations