Geometry & MOs

Info

ID:	308035
PubChem CID:	125312373
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	313.048126
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	4.36
IP(EA), eV:	-9.12(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-6-chloro-4-(2-cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-3,1-benzoxazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3[C@@H]([C@H]([C@H]([C@H]3CO)O)O)CO

DOS

IR

Vibrations