Geometry & MOs

Info

ID:	314556
PubChem CID:	126622137
Reduced:	O2N3H7C10 (1)
Stoich.:	A2B3C7D10 (1)
Weight, g/mol:	291.041069
ΔH_f, kcal/mol:	1.74
Dipole, Da:	4.54
IP(EA), eV:	-9.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-nitro-7-propan-2-yloxyisoquinoline-6-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(N=C2C=CNC(=O)C2=C1)C#N

DOS

IR

Vibrations