Geometry & MOs

Info

ID:	182693
PubChem CID:	76927110
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	294.144038
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	5.62
IP(EA), eV:	-10.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[1-(tetrazolidin-5-yl)ethylcarbamoylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CNC(=O)C2=CC=C(C=C2)C=CC(=O)O

DOS

IR

Vibrations