Geometry & MOs

Info

ID:	279767
PubChem CID:	103845100
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	299.08848
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	1.79
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1CC1)NCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations