Geometry & MOs

Info

ID:	414289
PubChem CID:	135087245
Reduced:	FON6C10H13 (1)
Stoich.:	ABC6D10E13 (1)
Weight, g/mol:	318.205576
ΔH_f, kcal/mol:	2.33
Dipole, Da:	1.25
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(CN1C=NC=N1)NC2=NC=C(C(=N2)OC)F

DOS

IR

Vibrations