Geometry & MOs

Info

ID:	270625
PubChem CID:	103637361
Reduced:	BrNSO3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	300.08373
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	5.27
IP(EA), eV:	-9.06(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[4-(dimethylamino)butylamino]methyl]phenol

Drug info:

PubChemData

Smile

CS(=O)(=O)CCNCC1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations