Geometry & MOs

Info

ID:	203483
PubChem CID:	79836963
Reduced:	NOC15H29 (1)
Stoich.:	ABC15D29 (1)
Weight, g/mol:	258.081599
ΔH_f, kcal/mol:	-96.67
Dipole, Da:	2.07
IP(EA), eV:	-9.06(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(dimethylamino)-2-oxoethyl]amino]-2,3-difluorobenzoic acid

Drug info:

PubChemData

Smile

CC1(CCCCC1(CCCC2CCCO2)N)C

DOS

IR

Vibrations