Geometry & MOs

Info

ID:	273781
PubChem CID:	103799619
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	299.148121
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	4.88
IP(EA), eV:	-9.16(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C=CS1)C2=CC=CC=C2

DOS

IR

Vibrations