Geometry & MOs

Info

ID:	29508
PubChem CID:	834594
Reduced:	ClN5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	209.123821
ΔH_f, kcal/mol:	95.82
Dipole, Da:	6.43
IP(EA), eV:	-9.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-2-amine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations