Geometry & MOs

Info

ID:	256910
PubChem CID:	103142347
Reduced:	O3C17H22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	3.76
IP(EA), eV:	-9.41(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-methyl-N-(5-nitroisoquinolin-8-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC2(CCC3=CC=CC=C3C2)C(=O)O

DOS

IR

Vibrations