Geometry & MOs

Info

ID:	218708
PubChem CID:	85089843
Reduced:	N2O3C13H16 (2)
Stoich.:	A2B3C13D16 (2)
Weight, g/mol:	498.230728
ΔH_f, kcal/mol:	-221.8
Dipole, Da:	5.79
IP(EA), eV:	-9.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-9H-xanthene-9-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC2=C3C(=NC(=NC3=O)N)CC2

DOS

IR

Vibrations