Geometry & MOs

Info

ID:	261188
PubChem CID:	103221660
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	290.185509
ΔH_f, kcal/mol:	-30.43
Dipole, Da:	5.52
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylpropylamino)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CNC1=CC(=O)N(N=C1)CC2CC3CCC2C3

DOS

IR

Vibrations