Geometry & MOs

Info

ID:	129494
PubChem CID:	51072828
Reduced:	ClFNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	281.126323
ΔH_f, kcal/mol:	-180.59
Dipole, Da:	3.37
IP(EA), eV:	-9.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2,3-dimethoxybenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

COC(=O)CCCNC(=O)CC1=C(C=CC=C1Cl)F

DOS

IR

Vibrations