Geometry & MOs

Info

ID:	323115
PubChem CID:	126672644
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	493.178868
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	3.58
IP(EA), eV:	-7.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-difluorocyclohexyl)-1-[3-[3-hydroxy-5-(trifluoromethyl)indol-1-yl]phenyl]azetidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2CC(C2)C(=O)O)N3C=C(C4=C3C=CC(=C4)OC)O

DOS

IR

Vibrations