Geometry & MOs

Info

ID:	329736
PubChem CID:	127246603
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-59.83
Dipole, Da:	6.42
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations