Geometry & MOs

Info

ID:	143442
PubChem CID:	53209646
Reduced:	ON4C27H28 (1)
Stoich.:	AB4C27D28 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	36.98
Dipole, Da:	6.29
IP(EA), eV:	-8.24(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylindol-3-yl)methyl]piperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(=NCCC2=CNC3=CC=CC=C32)NC4=CC(=CC(=C4)C)C

DOS

IR

Vibrations