Geometry & MOs

Info

ID:	206633
PubChem CID:	80276824
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	2.39
IP(EA), eV:	-8.66(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1CCC(CN1C2=C(C=CC(=C2)C)C(=O)O)C(=O)N

DOS

IR

Vibrations