Geometry & MOs

Info

ID:	418498
PubChem CID:	135105291
Reduced:	ON6C19H26 (1)
Stoich.:	AB6C19D26 (1)
Weight, g/mol:	361.188923
ΔH_f, kcal/mol:	19.48
Dipole, Da:	6.16
IP(EA), eV:	-8.47(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridin-1-yl]methyl]-5-methoxypyran-4-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)N(C)C)C

DOS

IR

Vibrations