Geometry & MOs

Info

ID:	129378
PubChem CID:	51072438
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	303.042899
ΔH_f, kcal/mol:	-63.08
Dipole, Da:	2.96
IP(EA), eV:	-8.79(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(2,6-dichlorophenyl)acetyl]amino]butanoate

Drug info:

PubChemData

Smile

CCCN(CC1COC2=CC=CC=C2O1)C(=O)C3=CC=CC=N3

DOS

IR

Vibrations