Geometry & MOs

Info

ID:	299858
PubChem CID:	117713302
Reduced:	O2F9H21C27 (1)
Stoich.:	A2B9C21D27 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-473.22
Dipole, Da:	9.44
IP(EA), eV:	-9.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)cyclohexyl]ethenol

Drug info:

PubChemData

Smile

CC1CCC(OC1)CCC2=CC(=C(C(=C2)F)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F)F

DOS

IR

Vibrations