Geometry & MOs

Info

ID:	256627
PubChem CID:	103140312
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-61.74
Dipole, Da:	2.29
IP(EA), eV:	-9.05(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)N(C=N2)C

DOS

IR

Vibrations