Geometry & MOs

Info

ID:	83888
PubChem CID:	49862230
Reduced:	O5C11H11 (2)
Stoich.:	A5B11C11 (2)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-354.74
Dipole, Da:	2.47
IP(EA), eV:	-8.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-phenylcarbamate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

DOS

IR

Vibrations