Geometry & MOs

Info

ID:	121146
PubChem CID:	50757301
Reduced:	N2O2H11C13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	422.174276
ΔH_f, kcal/mol:	-49.15
Dipole, Da:	4.94
IP(EA), eV:	-8.73(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C4=C(C=CC=N4)N5C=CC=C5C3=O)OC

DOS

IR

Vibrations