Geometry & MOs

Info

ID:	72467
PubChem CID:	48416207
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-104.52
Dipole, Da:	6.03
IP(EA), eV:	-8.79(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=C(C=C2)C#N)C(=O)OC

DOS

IR

Vibrations