Geometry & MOs

Info

ID:	296072
PubChem CID:	117554663
Reduced:	ClNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	249.032334
ΔH_f, kcal/mol:	-98.99
Dipole, Da:	2.58
IP(EA), eV:	-8.67(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichloroanilino)butane-1,4-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(CO)CO)C

DOS

IR

Vibrations