Geometry & MOs

Info

ID:	256765
PubChem CID:	103141212
Reduced:	ON2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	261.074956
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	1.07
IP(EA), eV:	-8.44(2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-nitroisoquinolin-8-yl)amino]acetate

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC(NCC2(C)C3CC3)C

DOS

IR

Vibrations