Geometry & MOs

Info

ID:	246451
PubChem CID:	103059691
Reduced:	ON2C16H32 (1)
Stoich.:	AB2C16D32 (1)
Weight, g/mol:	279.059696
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	2.68
IP(EA), eV:	-8.42(2.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrazin-2-amine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)N(C)CC2COCCC2NC

DOS

IR

Vibrations