Geometry & MOs

Info

ID:	261138
PubChem CID:	103219336
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	13.32
Dipole, Da:	6.75
IP(EA), eV:	-9.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methyl]-5-(propan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=O)N(N=C1)CC2=CC=NC=C2

DOS

IR

Vibrations