Geometry & MOs

Info

ID:	12083
PubChem CID:	129792
Reduced:	ON2C27H32 (1)
Stoich.:	AB2C27D32 (1)
Weight, g/mol:	400.251464
ΔH_f, kcal/mol:	23.69
Dipole, Da:	9.66
IP(EA), eV:	-8.26(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylpent-2-enyl]phenazin-1-one

Drug info:

PubChemData

Smile

CC(=CCN1C2=CC=CC=C2N=C3C1=CC=CC3=O)CCC4C(=C)CCCC4(C)C

DOS

IR

Vibrations