Geometry & MOs

Info

ID:	321336
PubChem CID:	126665826
Reduced:	ClN4O4H21C23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	382.96723
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	2.83
IP(EA), eV:	-8.48(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-5-[(4-chlorophenyl)methyl]-3-(methoxymethyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=C(C=CC(=C3)NC(=O)C)OC)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations