Geometry & MOs

Info

ID:	72358
PubChem CID:	48416083
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	373.163771
ΔH_f, kcal/mol:	-222.5
Dipole, Da:	3.19
IP(EA), eV:	-8.94(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CC3CCCC(C2)C3=O)C(=O)OC

DOS

IR

Vibrations