Geometry & MOs

Info

ID:	342823
PubChem CID:	127265986
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	413.111993
ΔH_f, kcal/mol:	-92.9
Dipole, Da:	3.54
IP(EA), eV:	-9.13(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butylazetidin-3-yl) 4-methoxybenzoate;trifluoromethanesulfonic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCC2=CC(=CC=C2)C3(OCCO3)C

DOS

IR

Vibrations