Geometry & MOs

Info

ID:	375856
PubChem CID:	134221850
Reduced:	ClNF4O5H32C33 (1)
Stoich.:	ABC4D5E32F33 (1)
Weight, g/mol:	442.236876
ΔH_f, kcal/mol:	-398.33
Dipole, Da:	8.25
IP(EA), eV:	-8.86(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[4-(2-hydroxyethylamino)piperidin-1-yl]-6,6,9-trimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=CC(=CC(=C3)Cl)C(F)(F)F)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations