Geometry & MOs

Info

ID:	72442
PubChem CID:	48416180
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	359.148121
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	9.03
IP(EA), eV:	-8.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C3N=CC=CN3N=C2)C(=O)OC

DOS

IR

Vibrations