Geometry & MOs

Info

ID:	189745
PubChem CID:	77899015
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-53.17
Dipole, Da:	2.22
IP(EA), eV:	-8.84(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclopropylmethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(2,6-dimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CN(C)C(=O)CN1C2CCC(C1=O)CN(C2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations