Geometry & MOs

Info

ID:	307094
PubChem CID:	125267556
Reduced:	ON4C12H14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	18.53
Dipole, Da:	5.87
IP(EA), eV:	-9.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-cyclopropyl-2-(4-oxo-6-propyl-5H-pyrimidin-2-yl)pyrazol-3-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=O)C1)NCC2=CC=NC=C2

DOS

IR

Vibrations