Geometry & MOs

Info

ID:	152898
PubChem CID:	56311985
Reduced:	OCl2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	332.188863
ΔH_f, kcal/mol:	21.04
Dipole, Da:	4.13
IP(EA), eV:	-8.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropylmethyl(1-phenylethyl)amino]-1-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCC(CC3)C(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations