Geometry & MOs

Info

ID:	280117
PubChem CID:	103847001
Reduced:	BrON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	334.06808
ΔH_f, kcal/mol:	-0.23
Dipole, Da:	4.29
IP(EA), eV:	-8.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-(cyclopropylmethoxy)propyl]isoquinolin-1-amine

Drug info:

PubChemData

Smile

C1CC(OC1)CNC2=NC=CC3=C2C=CC=C3Br

DOS

IR

Vibrations