Geometry & MOs

Info

ID:	447016
PubChem CID:	135279569
Reduced:	ON9C28H33 (1)
Stoich.:	AB9C28D33 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	118.43
Dipole, Da:	8.3
IP(EA), eV:	-8.13(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-5-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5N6CCN(CC6)C)/NN3)O

DOS

IR

Vibrations