Geometry & MOs

Info

ID:	270613
PubChem CID:	103637315
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	285.07283
ΔH_f, kcal/mol:	-16.3
Dipole, Da:	4.21
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2-methylpentan-3-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC1CC1CNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations