Geometry & MOs

Info

ID:	3810
PubChem CID:	10240
Reduced:	NS2C21H29 (1)
Stoich.:	AB2C21D29 (1)
Weight, g/mol:	359.174142
ΔH_f, kcal/mol:	26.57
Dipole, Da:	1.05
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(C)C

DOS

IR

Vibrations