Geometry & MOs

Info

ID:	306102
PubChem CID:	125001645
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-44.24
Dipole, Da:	5.04
IP(EA), eV:	-8.85(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCC[C@@H](C3)C4=NC=NC=C4

DOS

IR

Vibrations