Geometry & MOs

Info

ID:	256227
PubChem CID:	103137858
Reduced:	NC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	59.08
Dipole, Da:	3.74
IP(EA), eV:	-9.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(2-methylcyclohexyl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations