Geometry & MOs

Info

ID:	255991
PubChem CID:	103136148
Reduced:	SN2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	61.93
Dipole, Da:	2.62
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylcyclopentyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(C2=CC=CC3=C2C=NC=C3)NC)C

DOS

IR

Vibrations