Geometry & MOs

Info

ID:	385833
PubChem CID:	134980107
Reduced:	H4C5 (6)
Stoich.:	A4B5 (6)
Weight, g/mol:	150.140851
ΔH_f, kcal/mol:	113.82
Dipole, Da:	0.61
IP(EA), eV:	-8.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S,6S)-3,3,7,7-tetramethyltricyclo[4.1.0.02,4]heptane

Drug info:

PubChemData

Smile

CC1(CC1(C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4)C6=CC=CC=C6

DOS

IR

Vibrations