Geometry & MOs

Info

ID:	245276
PubChem CID:	99443243
Reduced:	O4N8H20C21 (1)
Stoich.:	A4B8C20D21 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	8.44
Dipole, Da:	4.75
IP(EA), eV:	-9.28(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethyl-1H-indol-3-yl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)NNC(=O)C3=NN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations