Geometry & MOs

Info

ID:	27348
PubChem CID:	820853
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	269.060742
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	1.91
IP(EA), eV:	-9.06(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-(4-chlorophenyl)-isoquinolin-1-ylmethanol

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@](C1)(C2=CC=CC=C2)NCC3=CC=CC=C3)O

DOS

IR

Vibrations