Geometry & MOs

Info

ID:	364011
PubChem CID:	127313682
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	0.3
Dipole, Da:	5.38
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC2=CN=CN=C2C1

DOS

IR

Vibrations