Geometry & MOs

Info

ID:	79736
PubChem CID:	49830188
Reduced:	N4O5H20C21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	257.177964
ΔH_f, kcal/mol:	-118.19
Dipole, Da:	10.03
IP(EA), eV:	-8.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1,13-dimethyl-10-prop-2-enyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)OCC(=O)N3CC(OC4=CC=CC=C43)C(=O)NC

DOS

IR

Vibrations