Geometry & MOs

Info

ID:	70782
PubChem CID:	48413866
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	-0.27
Dipole, Da:	8.67
IP(EA), eV:	-8.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC

DOS

IR

Vibrations