Geometry & MOs

Info

ID:	418398
PubChem CID:	135104525
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-38.57
Dipole, Da:	1.77
IP(EA), eV:	-9.24(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=CC=CN3C4CC4

DOS

IR

Vibrations