Geometry & MOs

Info

ID:	317740
PubChem CID:	126645598
Reduced:	NO5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	416.207587
ΔH_f, kcal/mol:	-272.06
Dipole, Da:	4.61
IP(EA), eV:	-10.12(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[3-(7-tert-butyl-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)phenyl]azetidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(CC1NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations