Geometry & MOs

Info

ID:	279778
PubChem CID:	103845149
Reduced:	OCl2N2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	299.08848
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	4.14
IP(EA), eV:	-9.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)NCC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations