Geometry & MOs

Info

ID:	62288
PubChem CID:	26718935
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	412.05349
ΔH_f, kcal/mol:	-29.2
Dipole, Da:	6.86
IP(EA), eV:	-8.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C/C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations