Geometry & MOs

Info

ID:	256778
PubChem CID:	103141346
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	6.14
IP(EA), eV:	-9.29(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(oxan-4-yl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CCNC(=O)CNC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations