Geometry & MOs

Info

ID:	142553
PubChem CID:	53056342
Reduced:	N4O6H22C23 (1)
Stoich.:	A4B6C22D23 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-102.83
Dipole, Da:	10.72
IP(EA), eV:	-8.83(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN(C(=O)C2=NO1)CC(=O)NC3=CC(=CC(=C3)OC)OC)C4=CC(=CC=C4)OC

DOS

IR

Vibrations