Geometry & MOs

Info

ID:	256758
PubChem CID:	103141153
Reduced:	ON2C14H26 (1)
Stoich.:	AB2C14D26 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	0.82
IP(EA), eV:	-8.55(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-dimethyl-N-(5-nitroisoquinolin-8-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CCNC(C2)(C)C3CC3

DOS

IR

Vibrations