Geometry & MOs

Info

ID:	417581
PubChem CID:	135102100
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	362.268176
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	2.76
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-7-ethyl-4a-(hydroxymethyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N[C@@H]3CCCC[C@H]3O)C(=O)O

DOS

IR

Vibrations