Geometry & MOs

Info

ID:	19240
PubChem CID:	558758
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-47.58
Dipole, Da:	4.34
IP(EA), eV:	-8.87(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations