Geometry & MOs

Info

ID:	276473
PubChem CID:	103823591
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	-8.66
Dipole, Da:	2.59
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylcyclopentyl)methyl]-1-isoquinolin-4-ylmethanamine

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=CN=CC3=CC=CC=C32

DOS

IR

Vibrations