Geometry & MOs

Info

ID:	329757
PubChem CID:	127246624
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	27.79
Dipole, Da:	4.14
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=C(N=C4N3C=CC=C4)C

DOS

IR

Vibrations