Geometry & MOs

Info

ID:	43271
PubChem CID:	10320517
Reduced:	Cl2N2O3H20C22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	431.19574
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	6.99
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-(3-nitrophenyl)-2-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(C=CC(=C3O2)OCC4CC4)C(=O)NC5=C(C=NC=C5Cl)Cl

DOS

IR

Vibrations