Geometry & MOs

Info

ID:	329752
PubChem CID:	127246619
Reduced:	ON6C18H18 (1)
Stoich.:	AB6C18D18 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	68.07
Dipole, Da:	5.89
IP(EA), eV:	-9.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC(=NN3)C4=CN=CC=C4

DOS

IR

Vibrations