Geometry & MOs

Info

ID:	247207
PubChem CID:	103068728
Reduced:	SN4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	255.084848
ΔH_f, kcal/mol:	58.11
Dipole, Da:	4.63
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylsulfanylmethyl]-N-ethylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=NC=NN1C

DOS

IR

Vibrations