Geometry & MOs

Info

ID:	49217
PubChem CID:	11531956
Reduced:	ClN2O5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	426.160437
ΔH_f, kcal/mol:	-141.06
Dipole, Da:	1.1
IP(EA), eV:	-9.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations