Geometry & MOs

Info

ID:	344037
PubChem CID:	127267213
Reduced:	ClN3O4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	-154.09
Dipole, Da:	6.02
IP(EA), eV:	-9.55(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[cyclopropyl(pyridin-4-ylmethyl)carbamoyl]amino]-N-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=N1)NC(=O)NCCCCO)Cl

DOS

IR

Vibrations