Geometry & MOs

Info

ID:	256315
PubChem CID:	103138407
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	0.53
IP(EA), eV:	-9.27(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[1-(5-methylthiophen-2-yl)propan-2-yl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCC(CC1CCC(O1)C)(CN)C2=CC=CC=C2

DOS

IR

Vibrations