Geometry & MOs

Info

ID:	397964
PubChem CID:	135031145
Reduced:	ClNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	281.141579
ΔH_f, kcal/mol:	-78.47
Dipole, Da:	3.98
IP(EA), eV:	-9.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-9-phenyl-2,3,3a,9-tetrahydro-1H-pyrrolo[2,1-b][1,3]benzoxazine

Drug info:

PubChemData

Smile

C=CCOC(=O)C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations