Geometry & MOs

Info

ID:	323416
PubChem CID:	126674747
Reduced:	NOH21C22 (1)
Stoich.:	ABC21D22 (1)
Weight, g/mol:	362.108956
ΔH_f, kcal/mol:	32.32
Dipole, Da:	4.7
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)OC2=CC=C(C3=CC=CC=C32)C#N

DOS

IR

Vibrations