Geometry & MOs

Info

ID:	391705
PubChem CID:	135008716
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	253.18305
ΔH_f, kcal/mol:	-126.09
Dipole, Da:	4.0
IP(EA), eV:	-8.85(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-1H-indole

Drug info:

PubChemData

Smile

COC(=O)C1(CCCC(C1)/C/2=C/CCCCCCCC2)NC(=O)C3=CC=CC=N3

DOS

IR

Vibrations