Geometry & MOs

Info

ID:	393595
PubChem CID:	135021176
Reduced:	N5H11C14 (1)
Stoich.:	A5B11C14 (1)
Weight, g/mol:	261.172879
ΔH_f, kcal/mol:	151.35
Dipole, Da:	3.04
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4aS,10bS)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]butan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)CN=[N+]=[N-]

DOS

IR

Vibrations