Geometry & MOs

Info

ID:	256861
PubChem CID:	103141923
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-144.07
Dipole, Da:	2.99
IP(EA), eV:	-9.47(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-nitroisoquinolin-8-yl)amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)C(NC(=O)C2(C)C)(C)C3CC3

DOS

IR

Vibrations