Geometry & MOs

Info

ID:	305632
PubChem CID:	124963227
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	3.34
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)[C@@H]2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations