Geometry & MOs

Info

ID:	275473
PubChem CID:	103816337
Reduced:	N2S2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	319.03385
ΔH_f, kcal/mol:	24.36
Dipole, Da:	2.35
IP(EA), eV:	-9.09(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-chlorophenyl)methylamino]-3-methylpentan-1-ol

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNCC2=CC=C(S2)C(C)(C)C

DOS

IR

Vibrations