Geometry & MOs

Info

ID:	207086
PubChem CID:	80343611
Reduced:	S2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	252.16602
ΔH_f, kcal/mol:	44.91
Dipole, Da:	3.8
IP(EA), eV:	-8.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[2-(dimethylamino)ethylsulfanyl]phenyl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)NCC1=C(N=C2N1C=CS2)SCCN(C)C

DOS

IR

Vibrations