Geometry & MOs

Info

ID:	261696
PubChem CID:	103246156
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-129.73
Dipole, Da:	5.41
IP(EA), eV:	-9.01(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-propan-2-ylphenyl)methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CNCC(C(=O)OC)NC(=O)C

DOS

IR

Vibrations