Geometry & MOs

Info

ID:	288916
PubChem CID:	104328461
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-127.99
Dipole, Da:	5.2
IP(EA), eV:	-8.91(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-(methylamino)propylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCCCC(=O)N)C(=O)O

DOS

IR

Vibrations