Geometry & MOs

Info

ID:	256914
PubChem CID:	103142366
Reduced:	N3C16H25 (1)
Stoich.:	A3B16C25 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	13.64
Dipole, Da:	1.65
IP(EA), eV:	-8.35(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(3S)-3-methylpiperazin-1-yl]-5-nitroisoquinoline

Drug info:

PubChemData

Smile

CN(C)CC1CCCN1C2=CC=CC3=C2CNCC3

DOS

IR

Vibrations