Geometry & MOs

Info

ID:	441705
PubChem CID:	135241510
Reduced:	BrN3O3C8H10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	664.14073
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	6.41
IP(EA), eV:	-9.09(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-cyano-6-iodophenyl)-6-[1-[[6-(cyclopentylmethoxymethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

C1C(COC2=C(C=NN21)Br)CNC(=O)O

DOS

IR

Vibrations