Geometry & MOs

Info

ID:	256559
PubChem CID:	103139894
Reduced:	BrNOC12H22 (1)
Stoich.:	ABCD12E22 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	1.89
IP(EA), eV:	-8.43(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methoxypropoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCCCC2CBr

DOS

IR

Vibrations