Geometry & MOs

Info

ID:	304390
PubChem CID:	124576734
Reduced:	NO2C15H25 (2)
Stoich.:	AB2C15D25 (2)
Weight, g/mol:	405.132471
ΔH_f, kcal/mol:	-211.02
Dipole, Da:	4.39
IP(EA), eV:	-8.88(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6R,7R)-3-(1,3-benzodioxol-5-yl)-4-oxo-N-(pyridin-4-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCCC1)[C@H](C2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations