Geometry & MOs

Info

ID:	256411
PubChem CID:	103139074
Reduced:	NO3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	277.12782
ΔH_f, kcal/mol:	-139.49
Dipole, Da:	3.38
IP(EA), eV:	-8.82(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCOC2C3CC3)CNCCOC

DOS

IR

Vibrations