Geometry & MOs

Info

ID:	427514
PubChem CID:	135159478
Reduced:	NS2C44H51 (1)
Stoich.:	AB2C44D51 (1)
Weight, g/mol:	274.110613
ΔH_f, kcal/mol:	238.93
Dipole, Da:	6.09
IP(EA), eV:	-7.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-5-phenylpyrido[2,3-b][1,4]benzoxazine

Drug info:

PubChemData

Smile

CCC(CCC/C=C\CSC/C=C\C)(C1=C(C=C(C=C1)/C(=C/C)/C=C\CC2=CC=CC=C2N/C=C\C=C/C=C)S)C(=C)C3=C=CC=C3

DOS

IR

Vibrations