Geometry & MOs

Info

ID:	132440
PubChem CID:	51362262
Reduced:	ClO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	380.235145
ΔH_f, kcal/mol:	22.76
Dipole, Da:	8.13
IP(EA), eV:	-8.38(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(7-hydroxy-3,5,5,8a-tetramethyl-1,2,4a,6,7,8-hexahydronaphthalen-2-yl)methoxy]-1H-naphthalen-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=N/NC2=C3C=CC(=CC3=NC=C2)Cl

DOS

IR

Vibrations