Geometry & MOs

Info

ID:	406435
PubChem CID:	135077582
Reduced:	ClN3C21H24 (1)
Stoich.:	AB3C21D24 (1)
Weight, g/mol:	348.110151
ΔH_f, kcal/mol:	86.95
Dipole, Da:	19.51
IP(EA), eV:	-6.84(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorobenzoyl)piperidin-4-yl]triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=[N+]3[C@H](CCC3=N2)CC4=CC=CC=C4)C.[Cl-]

DOS

IR

Vibrations