Geometry & MOs

Info

ID:	256620
PubChem CID:	103140271
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-89.58
Dipole, Da:	3.6
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[ethyl-(5-nitroisoquinolin-8-yl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=CC=C(C2=O)C

DOS

IR

Vibrations