Geometry & MOs

Info

ID:	355720
PubChem CID:	127289793
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	371.141596
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	5.21
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C(=C2)NC(=O)CN3CCC4=CN=CN=C4C3)Cl)OC1

DOS

IR

Vibrations