Geometry & MOs

Info

ID:	270517
PubChem CID:	103636962
Reduced:	BrON2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	299.08848
ΔH_f, kcal/mol:	-39.15
Dipole, Da:	5.98
IP(EA), eV:	-8.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(heptan-2-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(CNCC1=C(C=CC(=C1)Br)O)CN(C)C

DOS

IR

Vibrations