Geometry & MOs

Info

ID:	272470
PubChem CID:	103743662
Reduced:	BrNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	1.97
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyloxan-4-yl)methyl]-1-(2-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=CC3=C(C(=C2)Br)OCO3

DOS

IR

Vibrations