Geometry & MOs

Info

ID:	288475
PubChem CID:	104317113
Reduced:	BrNOC10H14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-38.62
Dipole, Da:	2.56
IP(EA), eV:	-8.65(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC1=CC(=CC=C1)Br)O

DOS

IR

Vibrations