Geometry & MOs

Info

ID:	368999
PubChem CID:	127331103
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	266.120132
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	1.83
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(pyrazin-2-ylmethyl)-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)CNC(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations