Geometry & MOs

Info

ID:	72377
PubChem CID:	48416104
Reduced:	NO4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	417.189986
ΔH_f, kcal/mol:	-172.38
Dipole, Da:	4.01
IP(EA), eV:	-8.71(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2CC3CCC2C3)C(=O)OC

DOS

IR

Vibrations