Geometry & MOs

Info

ID:	18128
PubChem CID:	538431
Reduced:	O2C21H32 (1)
Stoich.:	A2B21C32 (1)
Weight, g/mol:	316.24023
ΔH_f, kcal/mol:	-122.48
Dipole, Da:	2.21
IP(EA), eV:	-8.27(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(CC1)C3(CCCC(C3CC2)(C)C(=O)OC)C

DOS

IR

Vibrations