Geometry & MOs

Info

ID:	329794
PubChem CID:	127246661
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	18.9
Dipole, Da:	5.68
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2H-chromen-3-ylmethyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)C3=CC4=CC=CC=C4N3)C

DOS

IR

Vibrations