Geometry & MOs

Info

ID:	446856
PubChem CID:	135278235
Reduced:	N3P3O12H34C38 (1)
Stoich.:	A3B3C12D34E38 (1)
Weight, g/mol:	310.092912
ΔH_f, kcal/mol:	-480.12
Dipole, Da:	0.95
IP(EA), eV:	-8.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CC1N=P(N=P(N=P1(OC2=CC=C(C=C2)O)OC3=CC=C(C=C3)O)(OC4=CC=C(C=C4)O)OC5=CC=C(C=C5)O)(OC6=CC=C(C=C6)O)OC7=CC=C(C=C7)O

DOS

IR

Vibrations