Geometry & MOs

Info

ID:	201006
PubChem CID:	79472514
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	297.129969
ΔH_f, kcal/mol:	-77.23
Dipole, Da:	7.47
IP(EA), eV:	-9.88(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-methyl-5-N-(1-thiophen-2-ylpropan-2-yl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCCC(C1=NN=CN1C(C)C)C(=O)OCC

DOS

IR

Vibrations