Geometry & MOs

Info

ID:	438048
PubChem CID:	135227561
Reduced:	NC20H27 (1)
Stoich.:	AB20C27 (1)
Weight, g/mol:	307.23
ΔH_f, kcal/mol:	19.22
Dipole, Da:	1.53
IP(EA), eV:	-8.04(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,9-ditert-butyl-5-methyl-6H-cyclohepta[b]indole

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)N(C2=CC=CCC2)C3=CC=CC=C3

DOS

IR

Vibrations