Geometry & MOs

Info

ID:	433541
PubChem CID:	135173681
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	336.314064
ΔH_f, kcal/mol:	-63.9
Dipole, Da:	2.27
IP(EA), eV:	-8.61(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,4-dimethyl-4-(1-propan-2-ylpyrrolidin-3-yl)pentan-2-yl]oxy-3,3,5-trimethyl-2-azabicyclo[2.1.0]pentane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOCCCCCC2=NOC=C2

DOS

IR

Vibrations