Geometry & MOs

Info

ID:	340423
PubChem CID:	127262434
Reduced:	SN2O8C36H60 (1)
Stoich.:	AB2C8D36E60 (1)
Weight, g/mol:	305.118257
ΔH_f, kcal/mol:	-328.94
Dipole, Da:	13.4
IP(EA), eV:	-6.2(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl)methyl 2-aminobenzoate;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C(=O)O.CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C(=O)O.[O-]S(=O)(=O)[O-]

DOS

IR

Vibrations