Geometry & MOs

Info

ID:	256463
PubChem CID:	103139388
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	255.162314
ΔH_f, kcal/mol:	-41.89
Dipole, Da:	5.43
IP(EA), eV:	-8.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylcyclopentyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CN(CC1(CCOCC1)O)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations