Geometry & MOs

Info

ID:	256175
PubChem CID:	103137542
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	226.146999
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	3.83
IP(EA), eV:	-8.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl(isoquinolin-8-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1(COCCN1C2=C3C=NC=CC3=C(C=C2)N)C

DOS

IR

Vibrations