Geometry & MOs

Info

ID:	256854
PubChem CID:	103141875
Reduced:	N2O3C16H28 (1)
Stoich.:	A2B3C16D28 (1)
Weight, g/mol:	288.12224
ΔH_f, kcal/mol:	-175.1
Dipole, Da:	3.78
IP(EA), eV:	-9.43(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(5-nitroisoquinolin-8-yl)amino]propanamide

Drug info:

PubChemData

Smile

CCC1(C(=O)NC(C(=O)N1CC2CCC(O2)C)(C)CC)C

DOS

IR

Vibrations