Geometry & MOs

Info

ID:	392920
PubChem CID:	135018465
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	3.72
IP(EA), eV:	-8.86(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,3S)-4-benzyl-3-[(E)-2-methylpent-2-enyl]-3-oxido-6,8-dioxa-3-azoniabicyclo[3.2.1]octan-7-yl]methanol

Drug info:

PubChemData

Smile

CC/C=C(\C)/CN1C[C@@H]2C(OC(C1CC3=CC=CC=C3)O2)CO

DOS

IR

Vibrations