Geometry & MOs

Info

ID:	206520
PubChem CID:	80264060
Reduced:	FOSN2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	3.46
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[methyl-[(6-methylpyridin-2-yl)methyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2(CCCCCC2)C(=S)N)F

DOS

IR

Vibrations