Geometry & MOs

Info

ID:	263213
PubChem CID:	103346351
Reduced:	NS2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	309.158492
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	1.86
IP(EA), eV:	-8.7(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCC1CC1)C2CSC(C(S2)C)C

DOS

IR

Vibrations