Geometry & MOs

Info

ID:	256276
PubChem CID:	103138147
Reduced:	NSO3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	269.098669
ΔH_f, kcal/mol:	-177.92
Dipole, Da:	6.7
IP(EA), eV:	-9.22(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(1-thiophen-3-ylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CNCC(C)C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations