Geometry & MOs

Info

ID:	255623
PubChem CID:	103133489
Reduced:	NO2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	2.81
IP(EA), eV:	-8.76(1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-methoxyphenyl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CCCNC1CCC(CC1)OCC2CCC(O2)C

DOS

IR

Vibrations