Geometry & MOs

Info

ID:	59487
PubChem CID:	24875071
Reduced:	ClO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	519.198105
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	2.34
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)C2=C(C=CC(=C2)CCN3CCOCC3)NC(=O)C4=NC=C(N4)Cl

DOS

IR

Vibrations