Geometry & MOs

Info

ID:	256178
PubChem CID:	103137557
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	330.03678
ΔH_f, kcal/mol:	95.4
Dipole, Da:	2.72
IP(EA), eV:	-8.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromofuran-2-yl)-isoquinolin-8-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN(C)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations