Geometry & MOs

Info

ID:	228814
PubChem CID:	87565862
Reduced:	N3O3F5H26C27 (1)
Stoich.:	A3B3C5D26E27 (1)
Weight, g/mol:	511.169446
ΔH_f, kcal/mol:	-275.71
Dipole, Da:	4.04
IP(EA), eV:	-8.81(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(diethylamino)cyclobutyl]methyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)-3-(2,4,6-trifluorophenyl)indole-6-carbonitrile

Drug info:

PubChemData

Smile

C1CC1N(C2CC2)C3CC(C3)CN4C5=CC(=CC(=C5C(C4=O)(C6=C(C=CC=C6F)F)O)C(F)(F)F)C(=O)N

DOS

IR

Vibrations