Geometry & MOs

Info

ID:	415255
PubChem CID:	135088247
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	5.75
IP(EA), eV:	-9.27(-0.15)
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-propyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)CC2=CC=CC=C2OCCN3C=CN=C3

DOS

IR

Vibrations