Geometry & MOs

Info

ID:	179127
PubChem CID:	76439763
Reduced:	ON3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	0.4
Dipole, Da:	4.84
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-hydroxypropyl)-6-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=NC=CC=N2)C(=O)C3CNNN3

DOS

IR

Vibrations