Geometry & MOs

Info

ID:	256783
PubChem CID:	103141370
Reduced:	ON2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-92.65
Dipole, Da:	1.7
IP(EA), eV:	-8.3(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-nitroisoquinolin-8-yl)amino]butanamide

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2CC(NCC2C(C)C)CC(C)C

DOS

IR

Vibrations