Geometry & MOs

Info

ID:	213514
PubChem CID:	81063967
Reduced:	NCl2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	299.103669
ΔH_f, kcal/mol:	-137.69
Dipole, Da:	1.7
IP(EA), eV:	-10.01(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=CC(=C1)Cl)Cl

DOS

IR

Vibrations