Geometry & MOs

Info

ID:	256827
PubChem CID:	103141678
Reduced:	ON2C18H34 (1)
Stoich.:	AB2C18D34 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	-85.4
Dipole, Da:	1.87
IP(EA), eV:	-8.56(2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1CCNC(CN1CC2CCC(O2)C)C3CCCCC3

DOS

IR

Vibrations