Geometry & MOs

Info

ID:	355715
PubChem CID:	127289788
Reduced:	ON6C19H24 (1)
Stoich.:	AB6C19D24 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	26.65
Dipole, Da:	4.63
IP(EA), eV:	-7.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=C(C=C2)NC(=O)CN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations