Geometry & MOs

Info

ID:	205285
PubChem CID:	80080596
Reduced:	BrSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	58.56
Dipole, Da:	3.04
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-methoxyethyl)-4-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)N(C)CC2=CSC(=C2)Br

DOS

IR

Vibrations