Geometry & MOs

Info

ID:	160348
PubChem CID:	57309696
Reduced:	ClO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-28.51
Dipole, Da:	5.31
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC1C=CCN2N1C(=O)N(C2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations