Geometry & MOs

Info

ID:	325494
PubChem CID:	126683601
Reduced:	ClFN2O3C25H32 (1)
Stoich.:	ABC2D3E25F32 (1)
Weight, g/mol:	271.027917
ΔH_f, kcal/mol:	-146.23
Dipole, Da:	3.59
IP(EA), eV:	-9.07(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCN1CC(C1)OC)C[C@@H](CC2=CC=C(C=C2)C3=C(C=CC(=C3)Cl)F)N

DOS

IR

Vibrations