Geometry & MOs

Info

ID:	270614
PubChem CID:	103637321
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	269.04153
ΔH_f, kcal/mol:	-52.26
Dipole, Da:	4.58
IP(EA), eV:	-8.73(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(cyclobutylmethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCC(C(C)C)NCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations