Geometry & MOs

Info

ID:	404554
PubChem CID:	135066727
Reduced:	ClNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	11.53
Dipole, Da:	2.36
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethyl-7-propyl-2H-indol-1-yl)ethanone

Drug info:

PubChemData

Smile

C=C[C@H]1CN(CC2=C1C=CC(=C2Cl)O)CC3=CC=CC=C3

DOS

IR

Vibrations