Geometry & MOs

Info

ID:	422592
PubChem CID:	135118101
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	325.153875
ΔH_f, kcal/mol:	-5.33
Dipole, Da:	6.61
IP(EA), eV:	-9.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N(CCN(C)C)CC2=CN=CN2)C

DOS

IR

Vibrations