Geometry & MOs

Info

ID:	209853
PubChem CID:	80731313
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	320.05243
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	1.56
IP(EA), eV:	-8.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(2-bromophenyl)methyl]-5-methoxy-3-N-methylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CNC2=CC(=CC(=C2)N)OC(C)C

DOS

IR

Vibrations