Geometry & MOs

Info

ID:	194656
PubChem CID:	78569448
Reduced:	ClN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	371.103669
ΔH_f, kcal/mol:	4.12
Dipole, Da:	1.68
IP(EA), eV:	-9.29(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-morpholin-4-ylphenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N

DOS

IR

Vibrations