Geometry & MOs

Info

ID:	217944
PubChem CID:	85088629
Reduced:	ClO2N5C21H24 (1)
Stoich.:	AB2C5D21E24 (1)
Weight, g/mol:	413.187005
ΔH_f, kcal/mol:	-4.93
Dipole, Da:	5.25
IP(EA), eV:	-8.65(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN(C)N(C)C1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)Cl

DOS

IR

Vibrations