Geometry & MOs

Info

ID:	186570
PubChem CID:	77446221
Reduced:	ClNO2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	317.154642
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	2.17
IP(EA), eV:	-7.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-1-(chloromethyl)-3-ethyl-1,2-dihydrobenzo[e]indol-5-ol

Drug info:

PubChemData

Smile

CCN1CC(C2=C3C(=C(C=C21)O)C=CC=C3OC(C)C)CCl

DOS

IR

Vibrations