Geometry & MOs

Info

ID:	52840
PubChem CID:	14709058
Reduced:	BO2C14H25 (1)
Stoich.:	AB2C14D25 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-135.59
Dipole, Da:	3.87
IP(EA), eV:	-9.64(1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-benzylideneamino]-2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]acetamide

Drug info:

PubChemData

Smile

B(C(CC=C)(CC=C)CC=C)(OCC)OCC

DOS

IR

Vibrations