Geometry & MOs

Info

ID:	72350
PubChem CID:	48416075
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	5.72
IP(EA), eV:	-9.17(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2,2-dimethylpropanoylamino)methyl]-3-(4-ethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CNC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations