Geometry & MOs

Info

ID:	270515
PubChem CID:	103636956
Reduced:	NSO2C8H15 (1)
Stoich.:	ABC2D8E15 (1)
Weight, g/mol:	342.13068
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	5.14
IP(EA), eV:	-8.81(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[5-(diethylamino)pentan-2-ylamino]methyl]phenol

Drug info:

PubChemData

Smile

CCSCCCN1CCOC1=O

DOS

IR

Vibrations