Geometry & MOs

Info

ID:	296195
PubChem CID:	117560388
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	247.053069
ΔH_f, kcal/mol:	-58.31
Dipole, Da:	1.4
IP(EA), eV:	-8.11(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichloroanilino)-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations