Geometry & MOs

Info

ID:	445582
PubChem CID:	135268321
Reduced:	IF3N3H23C26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-47.08
Dipole, Da:	7.4
IP(EA), eV:	-8.52(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[carboxymethyl-[(6-ethyl-4-prop-1-ynylpyridin-2-yl)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C5=NC=C(C=C5)C(F)(F)I

DOS

IR

Vibrations