Geometry & MOs

Info

ID:	364004
PubChem CID:	127313675
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	-80.01
Dipole, Da:	3.59
IP(EA), eV:	-9.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCN(C(=O)C1=O)CC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations