Geometry & MOs

Info

ID:	256831
PubChem CID:	103141701
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	1.64
IP(EA), eV:	-8.43(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CN(C2=CC=CC=C2CN1)CC3CCC(O3)C)C

DOS

IR

Vibrations