Geometry & MOs

Info

ID:	397547
PubChem CID:	135030371
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	303.100777
ΔH_f, kcal/mol:	12.62
Dipole, Da:	5.33
IP(EA), eV:	-8.81(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(cyanomethoxy)-2-phenyl-1,4-benzoxazin-2-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CCN2C(C1)OC3=C(C2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5C=C3

DOS

IR

Vibrations