Geometry & MOs

Info

ID:	205419
PubChem CID:	80097534
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-67.94
Dipole, Da:	3.6
IP(EA), eV:	-8.49(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxynaphthalen-1-yl)methyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)CN(CC=C)CC(=O)O

DOS

IR

Vibrations