Geometry & MOs

Info

ID:	72375
PubChem CID:	48416102
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-148.74
Dipole, Da:	3.76
IP(EA), eV:	-8.81(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=C(N(N=C2C)C)C)C(=O)OC

DOS

IR

Vibrations