Geometry & MOs

Info

ID:	256296
PubChem CID:	103138283
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	48.2
Dipole, Da:	2.83
IP(EA), eV:	-8.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methylazepan-1-yl)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CC1CN(CCN1C)C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations