Geometry & MOs

Info

ID:	181678
PubChem CID:	76773913
Reduced:	N3O3C22H37 (1)
Stoich.:	A3B3C22D37 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	5.45
IP(EA), eV:	-8.73(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[5-(3-methylbenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(C(=O)C3CCCNC3N2C4CC4)CCCCCC(=O)CO

DOS

IR

Vibrations