Geometry & MOs

Info

ID:	426767
PubChem CID:	135153796
Reduced:	O4N5C27H29 (1)
Stoich.:	A4B5C27D29 (1)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	6.18
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(NC(=NC2=O)COCC3=CC=CC=C3)N=C1N4CCC(CC4)OC5=CN=C(C=C5)OC

DOS

IR

Vibrations