Geometry & MOs

Info

ID:	62739
PubChem CID:	26736486
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	5.7
IP(EA), eV:	-8.7(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CCNC(=O)/C=C/C2=CC=C(C=C2)OC

DOS

IR

Vibrations