Geometry & MOs

Info

ID:	364012
PubChem CID:	127313683
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	69.39
Dipole, Da:	2.76
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations