Geometry & MOs

Info

ID:	256354
PubChem CID:	103138710
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	283.204848
ΔH_f, kcal/mol:	-54.79
Dipole, Da:	2.15
IP(EA), eV:	-8.86(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-cyclopentyl-8-N-(2-methylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCCNCC(CC1CCC(O1)C)C2=CC=CC=C2

DOS

IR

Vibrations