Geometry & MOs

Info

ID:	29034
PubChem CID:	831261
Reduced:	Cl2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	59.53
Dipole, Da:	2.12
IP(EA), eV:	-9.03(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CN1[C@H](C(=N)N([C@@H]1C2=CC=CC=C2Cl)C)C3=CC=CC=C3Cl

DOS

IR

Vibrations