Geometry & MOs

Info

ID:	16052
PubChem CID:	458720
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-104.43
Dipole, Da:	3.23
IP(EA), eV:	-8.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methylnaphthalen-1-yl)amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2C=C1)NC(=O)CCC(=O)O

DOS

IR

Vibrations