Geometry & MOs

Info

ID:	154288
PubChem CID:	56313700
Reduced:	FO3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	427.028
ΔH_f, kcal/mol:	-96.95
Dipole, Da:	6.82
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations