Geometry & MOs

Info

ID:	189549
PubChem CID:	77871570
Reduced:	N4O5C21H36 (1)
Stoich.:	A4B5C21D36 (1)
Weight, g/mol:	275.05605
ΔH_f, kcal/mol:	-241.79
Dipole, Da:	2.18
IP(EA), eV:	-9.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminopropanoic acid;2-(4-chlorophenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)CCCC(C(C)CC)(C(=O)O)O)N

DOS

IR

Vibrations