Geometry & MOs

Info

ID:	73591
PubChem CID:	48418396
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	394.164105
ΔH_f, kcal/mol:	-48.48
Dipole, Da:	4.28
IP(EA), eV:	-8.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-3-methoxy-N'-[3-(3-methylpyrazol-1-yl)benzoyl]benzohydrazide

Drug info:

PubChemData

Smile

COC1=NC(=CC2=CC=CC=C21)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations