Geometry & MOs

Info

ID:	142688
PubChem CID:	53076587
Reduced:	ClO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	448.185903
ΔH_f, kcal/mol:	5.36
Dipole, Da:	3.65
IP(EA), eV:	-8.58(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-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

CC1=CC=C(C=C1)C2CC3C4NN(C(=O)N4C=CN3N2)CC(=O)NC5=C(C=CC(=C5)Cl)C

DOS

IR

Vibrations