Geometry & MOs

Info

ID:	414331
PubChem CID:	135087287
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-104.37
Dipole, Da:	4.26
IP(EA), eV:	-9.1(-1.01)
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-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)CC2=C(C=CC(=C2)C3=NC=CN=C3)OCC(=O)O

DOS

IR

Vibrations