Geometry & MOs

Info

ID:	288924
PubChem CID:	104328560
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-159.35
Dipole, Da:	5.41
IP(EA), eV:	-9.31(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2CCC(=O)N(C2=O)C)C(=O)O

DOS

IR

Vibrations