Geometry & MOs

Info

ID:	419941
PubChem CID:	135109970
Reduced:	OF3N5C17H20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-136.62
Dipole, Da:	6.99
IP(EA), eV:	-8.92(-0.42)
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]-(2-methyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1=NC(=CC(=N1)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3)C(F)(F)F

DOS

IR

Vibrations