Geometry & MOs

Info

ID:	198681
PubChem CID:	79135642
Reduced:	BrNOC11H16 (1)
Stoich.:	ABCD11E16 (1)
Weight, g/mol:	261.06872
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	4.32
IP(EA), eV:	-9.51(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-1-(2,4-dichlorophenyl)-2-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CN)C(C1=CC(=CC=C1)Br)O

DOS

IR

Vibrations