Geometry & MOs

Info

ID:	12884
PubChem CID:	147684
Reduced:	C5H6 (3)
Stoich.:	A5B6 (3)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	6.28
Dipole, Da:	0.6
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10aS)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene

Drug info:

PubChemData

Smile

CC1=C[C@@H]2CCCC[C@H]2C3=CC=CC=C13

DOS

IR

Vibrations