Geometry & MOs

Info

ID:	264700
PubChem CID:	103483749
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-59.44
Dipole, Da:	2.01
IP(EA), eV:	-8.98(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-butan-2-ylpyrazol-3-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1CCOC(C1)CN2C=NC3=C(C2=O)CCNC3

DOS

IR

Vibrations