Geometry & MOs

Info

ID:	73644
PubChem CID:	48419587
Reduced:	BrClO2N5C15H17 (1)
Stoich.:	ABC2D5E15F17 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	7.68
Dipole, Da:	2.29
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methyl-3-(3-methylpyrazol-1-yl)-N'-phenylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)Cl

DOS

IR

Vibrations