Geometry & MOs

Info

ID:	256859
PubChem CID:	103141911
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	321.060569
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	3.04
IP(EA), eV:	-9.48(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dithian-2-ylmethyl)-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(C(=O)NC(C2=O)(C)C3CC3)C

DOS

IR

Vibrations