Geometry & MOs

Info

ID:	3828
PubChem CID:	10270
Reduced:	C5H8 (3)
Stoich.:	A5B8 (3)
Weight, g/mol:	204.187801
ΔH_f, kcal/mol:	6.47
Dipole, Da:	0.96
IP(EA), eV:	-9.41(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene

Drug info:

PubChemData

Smile

CC1CCC2[C@@H]1[C@H]3[C@H](C3(C)C)CCC2=C

DOS

IR

Vibrations