Geometry & MOs

Info

ID:	36417
PubChem CID:	8006240
Reduced:	BrN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	335.163377
ΔH_f, kcal/mol:	-119.42
Dipole, Da:	4.57
IP(EA), eV:	-9.66(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-6-oxo-N-(2-phenylethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCC2)C#N)Br

DOS

IR

Vibrations