Geometry & MOs

Info

ID:	261683
PubChem CID:	103245318
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	315.01062
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	6.65
IP(EA), eV:	-10.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[(1-methoxy-1-oxopropan-2-yl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC)NCCN1C=C(N=N1)C(=O)O

DOS

IR

Vibrations