Geometry & MOs

Info

ID:	79495
PubChem CID:	49786833
Reduced:	FN3O4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	422.181727
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	4.59
IP(EA), eV:	-8.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-dimethoxyphenyl)methyl]-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC(=NO2)C(=O)NC3=CC=CC=C3)C(=O)OCCF

DOS

IR

Vibrations