Geometry & MOs

Info

ID:	256840
PubChem CID:	103141773
Reduced:	N2O3C16H26 (1)
Stoich.:	A2B3C16D26 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-143.5
Dipole, Da:	2.43
IP(EA), eV:	-9.49(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(5-nitroisoquinolin-8-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations