Geometry & MOs

Info

ID:	270563
PubChem CID:	103637119
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-41.3
Dipole, Da:	2.25
IP(EA), eV:	-8.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1O)CNCCC2=CSC(=N2)C

DOS

IR

Vibrations