Geometry & MOs

Info

ID:	126948
PubChem CID:	50985078
Reduced:	N3C12H23 (1)
Stoich.:	A3B12C23 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	2.63
IP(EA), eV:	-8.64(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-oxolan-2-yl]methyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

Drug info:

PubChemData

Smile

CCC(CC)NC(C)CC1=NNC(=C1)C

DOS

IR

Vibrations