Geometry & MOs

Info

ID:	72475
PubChem CID:	48416216
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	2.27
IP(EA), eV:	-8.67(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(2-methylpropanoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CC=N2)C(=O)OC

DOS

IR

Vibrations