Geometry & MOs

Info

ID:	363342
PubChem CID:	127310871
Reduced:	ON6C20H28 (1)
Stoich.:	AB6C20D28 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	52.53
Dipole, Da:	2.94
IP(EA), eV:	-9.02(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)CN2CCCN(CC2)C(=O)C3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations