Geometry & MOs

Info

ID:	131578
PubChem CID:	51230501
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	3.84
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetyl]amino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations