Geometry & MOs

Info

ID:	329798
PubChem CID:	127246665
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	35.43
Dipole, Da:	6.88
IP(EA), eV:	-9.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CN=C(N=C3)C4CC4)C

DOS

IR

Vibrations