Geometry & MOs

Info

ID:	62782
PubChem CID:	26736765
Reduced:	ClN4O4C20H23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	6.21
IP(EA), eV:	-8.84(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-(2-methyl-1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

COCCNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations