Geometry & MOs

Info

ID:	83902
PubChem CID:	49862311
Reduced:	ON5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	470.244854
ΔH_f, kcal/mol:	92.54
Dipole, Da:	6.34
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[1,2-dicyclohexyl-3-(2-methylimidazol-1-yl)propylidene]amino] N-(3-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=NN=C(C3=CC=CC=C32)C4=CC=NC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations