Geometry & MOs

Info

ID:	256964
PubChem CID:	103142749
Reduced:	ClO2C14H23 (1)
Stoich.:	AB2C14D23 (1)
Weight, g/mol:	275.090606
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	2.92
IP(EA), eV:	-9.59(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCOC2C3CC3)CCl

DOS

IR

Vibrations