Geometry & MOs

Info

ID:	323222
PubChem CID:	126673711
Reduced:	N2O2H8C17 (1)
Stoich.:	A2B2C8D17 (1)
Weight, g/mol:	473.253923
ΔH_f, kcal/mol:	55.44
Dipole, Da:	1.92
IP(EA), eV:	-9.46(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylamino)-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]-2-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=C5C=CC=C5C3=N2)C(=O)NC4=O

DOS

IR

Vibrations