Geometry & MOs

Info

ID:	267235
PubChem CID:	103581472
Reduced:	BrClN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	352.98182
ΔH_f, kcal/mol:	4.22
Dipole, Da:	2.94
IP(EA), eV:	-8.56(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-N-[(4-bromo-3-chlorophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C=C1)Br)Cl)CN(C)C

DOS

IR

Vibrations