Geometry & MOs

Info

ID:	161074
PubChem CID:	57390682
Reduced:	BrOSN3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	60.23
Dipole, Da:	2.13
IP(EA), eV:	-9.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3-methylanilino)methyl]-4-propyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(C(S1)C3=CC=C(C=C3)Br)C4=C(C=C2)NN=C4

DOS

IR

Vibrations