Geometry & MOs

Info

ID:	306778
PubChem CID:	125240963
Reduced:	O3N4C17H26 (1)
Stoich.:	A3B4C17D26 (1)
Weight, g/mol:	334.200491
ΔH_f, kcal/mol:	-98.3
Dipole, Da:	5.53
IP(EA), eV:	-8.67(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4aR,8aR)-N-(2-methoxyethyl)-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CC[C@H]3[C@H](C2)C[C@@H](CO3)C(=O)NCCOC

DOS

IR

Vibrations