Geometry & MOs

Info

ID:	169041
PubChem CID:	75058443
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	376.117155
ΔH_f, kcal/mol:	-27.43
Dipole, Da:	8.23
IP(EA), eV:	-9.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2COC3CN4C=C(N=C4OC3)[N+](=O)[O-]

DOS

IR

Vibrations