Geometry & MOs

Info

ID:	173781
PubChem CID:	75682250
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	375.214464
ΔH_f, kcal/mol:	-80.45
Dipole, Da:	3.32
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-(9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,11-trien-10-yl)propanamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CC=CC=C2)CC(=O)N3CCCC(C3)CN(C)C

DOS

IR

Vibrations