Geometry & MOs

Info

ID:	256862
PubChem CID:	103141927
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	9.12
IP(EA), eV:	-9.15(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-nitroisoquinolin-8-yl)amino]pentan-3-ol

Drug info:

PubChemData

Smile

CCC(CCO)NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations