Geometry & MOs

Info

ID:	244468
PubChem CID:	99355648
Reduced:	O2N6C21H22 (1)
Stoich.:	A2B6C21D22 (1)
Weight, g/mol:	396.110151
ΔH_f, kcal/mol:	13.57
Dipole, Da:	5.56
IP(EA), eV:	-9.18(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C3=CC=C(C=C3)N4C=NN=C4

DOS

IR

Vibrations