Geometry & MOs

Info

ID:	168469
PubChem CID:	74973536
Reduced:	NOC10H15 (2)
Stoich.:	ABC10D15 (2)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-95.1
Dipole, Da:	5.51
IP(EA), eV:	-9.22(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,12a-trimethyl-1,2,3,4a,4b,5,6,10b,11,12-decahydrochrysene-1,8-diol

Drug info:

PubChemData

Smile

COC1CCC(C2C1NC(=O)CC2)CCNCCC3=CC=CC=C3

DOS

IR

Vibrations