Geometry & MOs

Info

ID:	142687
PubChem CID:	53076375
Reduced:	ON3C11H16 (2)
Stoich.:	AB3C11D16 (2)
Weight, g/mol:	452.172752
ΔH_f, kcal/mol:	-9.36
Dipole, Da:	2.06
IP(EA), eV:	-8.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[11-(4-methylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodec-7-en-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CCC1=NNC2N1C=CN3C2CC(N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations