Geometry & MOs

Info

ID:	143626
PubChem CID:	53237196
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	370.28718
ΔH_f, kcal/mol:	-52.46
Dipole, Da:	5.35
IP(EA), eV:	-8.97(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyloctan-2-yl)-2-(4,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)benzene-1,3-diol

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)OCCCN2CC[C@H]3[C@H]2C=CC3

DOS

IR

Vibrations