Geometry & MOs

Info

ID:	256324
PubChem CID:	103138466
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	16.1
Dipole, Da:	2.79
IP(EA), eV:	-7.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(3,4-dimethylcyclohexyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CC(CC(C1)NC2=C3C=NC=CC3=C(C=C2)N)C

DOS

IR

Vibrations