Geometry & MOs

Info

ID:	445829
PubChem CID:	135269691
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	494.299202
ΔH_f, kcal/mol:	-16.35
Dipole, Da:	5.25
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(prop-2-enoyloxymethyl)cyclohexyl]methyl 3-(1-methoxypropan-2-yloxycarbonylamino)-1,5-dimethyl-6-azabicyclo[3.2.1]octane-6-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC=CC=C2C3=COC=C3)C)CC4=CC=C(C=C4)C(=O)NO

DOS

IR

Vibrations