Geometry & MOs

Info

ID:	128671
PubChem CID:	51053755
Reduced:	O3N5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	413.0375
ΔH_f, kcal/mol:	-32.41
Dipole, Da:	6.48
IP(EA), eV:	-8.96(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=NC(=O)C3=CC=CC=C3N2)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations