Geometry & MOs

Info

ID:	330099
PubChem CID:	127247086
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	35.18
Dipole, Da:	3.45
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)CC3=CC4=CC=CC=C4OC3

DOS

IR

Vibrations