Geometry & MOs

Info

ID:	436767
PubChem CID:	135211282
Reduced:	FON4C28H33 (1)
Stoich.:	ABC4D28E33 (1)
Weight, g/mol:	482.268176
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	8.95
IP(EA), eV:	-8.28(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-cyclopropyl-6,6-dimethyl-3-(methyliminomethyl)-8-[4-(oxetan-3-yl)piperazin-1-yl]-5H-benzo[b]carbazol-11-one

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=CC3=C(C=C2)C(=O)C4=C(C3(C)C)N(C5=C4C=CC(=C5F)C=NC)C

DOS

IR

Vibrations