Geometry & MOs

Info

ID:	38442
PubChem CID:	8066398
Reduced:	FON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-61.96
Dipole, Da:	8.23
IP(EA), eV:	-8.44(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-(furan-2-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)[C@@H](CC(=O)N(CC)CC)C3=CC(=CC=C3)F

DOS

IR

Vibrations