Geometry & MOs

Info

ID:	364236
PubChem CID:	127314540
Reduced:	ON5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	24.61
Dipole, Da:	2.42
IP(EA), eV:	-9.63(-0.68)
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-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations