Geometry & MOs

Info

ID:	169040
PubChem CID:	75058400
Reduced:	ON7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	393.132471
ΔH_f, kcal/mol:	73.95
Dipole, Da:	17.1
IP(EA), eV:	-8.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)NC(=C1C=CC(=O)C(=C1)N2C=C(N=N2)C3=CC(=CC=C3)C(=NC(C)C)N)N

DOS

IR

Vibrations