Geometry & MOs

Info

ID:	436779
PubChem CID:	135211397
Reduced:	IO6H21C22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	551.203191
ΔH_f, kcal/mol:	-180.6
Dipole, Da:	5.06
IP(EA), eV:	-9.16(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl] N-[8-[2-(diethylamino)ethoxy]-11-oxo-5,6-dihydrobenzo[b]carbazol-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OC[C@H](C(CO)O)O)C(=O)C3=C1OC4=C3C=CC(=C4)I)C

DOS

IR

Vibrations