Geometry & MOs

Info

ID:	297420
PubChem CID:	117617108
Reduced:	PN7O8C50H52 (1)
Stoich.:	AB7C8D50E52 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-158.76
Dipole, Da:	8.82
IP(EA), eV:	-8.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminooxy-5-[(E)-2-cyclohexylethenyl]phenol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)OCCC/C=C/CCNC2=C3C(=NC(=N2)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)N(C=N3)C7[C@]([C@@H](C(O7)COP(=O)(N1)OC8=CC=CC9=CC=CC=C98)O)(C)O

DOS

IR

Vibrations