Geometry & MOs

Info

ID:	213969
PubChem CID:	81065604
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	-148.7
Dipole, Da:	3.43
IP(EA), eV:	-9.41(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyanopyridin-4-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C(=O)OC)NCC(C)CC(=O)O

DOS

IR

Vibrations