Geometry & MOs

Info

ID:	213852
PubChem CID:	81065483
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	6.41
IP(EA), eV:	-9.41(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-ethylpyrimidin-4-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)NCC(C)CC(=O)O

DOS

IR

Vibrations