Geometry & MOs

Info

ID:	256310
PubChem CID:	103138371
Reduced:	BrNOC18H28 (1)
Stoich.:	ABCD18E28 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	2.34
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methylazepan-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=CC=C2Br)CNC(C)C

DOS

IR

Vibrations