Geometry & MOs

Info

ID:	256838
PubChem CID:	103141764
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	-170.22
Dipole, Da:	2.26
IP(EA), eV:	-9.54(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[1-(1,3-thiazol-2-yl)ethyl]isoquinolin-8-amine

Drug info:

PubChemData

Smile

CCCC1C(=O)N(C(C(=O)N1)(C)CC)CC2CCC(O2)C

DOS

IR

Vibrations