Geometry & MOs

Info

ID:	422816
PubChem CID:	135118463
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	6.42
IP(EA), eV:	-8.45(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(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]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C2CCCC2=C1)CN(CCO)CC3=NC=CN3

DOS

IR

Vibrations