Geometry & MOs

Info

ID:	234753
PubChem CID:	92303437
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	334.142976
ΔH_f, kcal/mol:	-38.27
Dipole, Da:	1.85
IP(EA), eV:	-9.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(2H-chromen-3-yl)-2-cyano-N-(3-imidazol-1-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N[C@H](CC2=CN=CN2)CO

DOS

IR

Vibrations