Geometry & MOs

Info

ID:	423483
PubChem CID:	135119580
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	360.184921
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	6.13
IP(EA), eV:	-9.35(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-N-(3-fluorophenyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)C(=O)N(CCO)CC2=NC=CN2)C

DOS

IR

Vibrations