Geometry & MOs

Info

ID:	261668
PubChem CID:	103244711
Reduced:	NO2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-152.51
Dipole, Da:	5.51
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)butylamino]methyl]-6-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNCCC(=O)N(C)C)C(=O)O

DOS

IR

Vibrations