Geometry & MOs

Info

ID:	143341
PubChem CID:	53194671
Reduced:	O2N7C24H25 (1)
Stoich.:	A2B7C24D25 (1)
Weight, g/mol:	437.188546
ΔH_f, kcal/mol:	37.86
Dipole, Da:	3.36
IP(EA), eV:	-8.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-propan-2-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=CN=C2)N=C(C1=O)N3CCN(CC3)C(=O)C4=CC(=NN4)C5=CC=CC=C5

DOS

IR

Vibrations