Geometry & MOs

Info

ID:	270516
PubChem CID:	103636960
Reduced:	BrON2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	5.71
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[3-(dimethylamino)-2,2-dimethylpropyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations