Geometry & MOs

Info

ID:	35534
PubChem CID:	7980000
Reduced:	ClN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	418.06922
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	3.62
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-4-tert-butylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations