Geometry & MOs

Info

ID:	182793
PubChem CID:	76938360
Reduced:	ON2C15H18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	8.65
Dipole, Da:	1.46
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-but-2-enoxyisoquinolin-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC=CCOC1=NC(=CC2=CC=CC=C21)CNC

DOS

IR

Vibrations