Geometry & MOs

Info

ID:	136874
PubChem CID:	52117160
Reduced:	O3N4C19H27 (1)
Stoich.:	A3B4C19D27 (1)
Weight, g/mol:	367.135448
ΔH_f, kcal/mol:	-74.6
Dipole, Da:	5.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958091
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)NCC[NH+](C)C

DOS

IR

Vibrations