Geometry & MOs

Info

ID:	208283
PubChem CID:	80512305
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	253.099731
ΔH_f, kcal/mol:	49.75
Dipole, Da:	5.64
IP(EA), eV:	-7.87(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-carbamothioylpyridazin-3-yl)amino]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OC\2=NNC=C/C2=C(\N)/N=O

DOS

IR

Vibrations