Geometry & MOs

Info

ID:	182067
PubChem CID:	76836053
Reduced:	FNO3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	364.17972
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	2.99
IP(EA), eV:	-9.61(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-(cyclohexylmethyl)-4-(4-methanidylcyclohexyl)cyclohexane;yttrium

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CC(=CC(=C1)CC2=CC=CC=C2)F)CO

DOS

IR

Vibrations