Geometry & MOs

Info

ID:	329751
PubChem CID:	127246618
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	334.154209
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	5.3
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)S(=O)(=O)C3=CC=CC(=C3)OC

DOS

IR

Vibrations