Geometry & MOs

Info

ID:	220498
PubChem CID:	85195601
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	3.3
IP(EA), eV:	-9.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10b,10c-dimethyl-2,7-dinitro-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydropyrene

Drug info:

PubChemData

Smile

CC1=CCC2=C(CC3C(C12)OC(=O)C3=C)C=O

DOS

IR

Vibrations