Geometry & MOs

Info

ID:	329748
PubChem CID:	127246615
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	331.179696
ΔH_f, kcal/mol:	20.82
Dipole, Da:	6.48
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[1-[(2-phenylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations