Geometry & MOs

Info

ID:	198358
PubChem CID:	79091601
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	251.072848
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	6.36
IP(EA), eV:	-8.71(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)N2CCNCC2C#N

DOS

IR

Vibrations