Geometry & MOs

Info

ID:	306101
PubChem CID:	125001644
Reduced:	N3O3C17H19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-73.23
Dipole, Da:	5.11
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)[C@H]2CN(CCO2)C(=O)C3=CC(=O)N(C=C3)C

DOS

IR

Vibrations