Geometry & MOs

Info

ID:	224332
PubChem CID:	85341726
Reduced:	ON2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	334.250795
ΔH_f, kcal/mol:	-7.64
Dipole, Da:	3.56
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-methoxy-3-methylpent-3-enyl)-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2CCC(C2)(C1=NC(C3=CC4=CC=CC=C4C=C3)C(=O)N)C)C

DOS

IR

Vibrations