Geometry & MOs

Info

ID:	395554
PubChem CID:	135025786
Reduced:	NO3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	417.246111
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	3.08
IP(EA), eV:	-8.48(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(C#CC(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations