Geometry & MOs

Info

ID:	285064
PubChem CID:	104094638
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	2.04
IP(EA), eV:	-9.05(1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxypropanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CNC1CCC(CC1)(CCCC#C)O

DOS

IR

Vibrations