Geometry & MOs

Info

ID:	288472
PubChem CID:	104317083
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	233.037419
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	1.65
IP(EA), eV:	-8.48(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dichloroanilino)butan-2-ol

Drug info:

PubChemData

Smile

CC(CCNC1=CC(=CC(=C1)OC)OC)O

DOS

IR

Vibrations