Geometry & MOs

Info

ID:	68216
PubChem CID:	46507981
Reduced:	ClN3O5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	-197.13
Dipole, Da:	5.24
IP(EA), eV:	-9.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)C2=C(NC(=C2C)C(=O)OCC)C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations