Geometry & MOs

Info

ID:	438026
PubChem CID:	135227539
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	90.06
Dipole, Da:	1.9
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,9-dimethyl-1,2,3,4,4a,9a-hexahydrocarbazole

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1/C=C\C=C)N(C)C3=CC=CC=C3

DOS

IR

Vibrations