Geometry & MOs

Info

ID:	14129
PubChem CID:	405044
Reduced:	C2H3 (10)
Stoich.:	A2B3 (10)
Weight, g/mol:	270.234751
ΔH_f, kcal/mol:	-36.33
Dipole, Da:	0.8
IP(EA), eV:	-8.73(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS)-1,1,4a-trimethyl-6-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(CCC3[C@@]2(CCCC3(C)C)C)C=C1

DOS

IR

Vibrations