Geometry & MOs

Info

ID:	256413
PubChem CID:	103139090
Reduced:	NO2C16H31 (1)
Stoich.:	AB2C16D31 (1)
Weight, g/mol:	269.060742
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	2.94
IP(EA), eV:	-8.9(2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCOC2C)CNCC(C)C

DOS

IR

Vibrations