Geometry & MOs

Info

ID:	423394
PubChem CID:	135119418
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	21.57
Dipole, Da:	5.66
IP(EA), eV:	-8.7(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)C2CCN(CC2)C3=C(C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations