Geometry & MOs

Info

ID:	193148
PubChem CID:	78349913
Reduced:	ClN3O5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	10.96
IP(EA), eV:	-9.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,8-dienoic acid

Drug info:

PubChemData

Smile

C1CC(=C(NC1C(C(=O)O)NC(=O)C(C2=CC=CC=C2)N)C(=O)O)Cl

DOS

IR

Vibrations