Geometry & MOs

Info

ID:	139955
PubChem CID:	52621397
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	294.136828
ΔH_f, kcal/mol:	1.54
Dipole, Da:	3.12
IP(EA), eV:	-8.44(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CN2CCOC3=CC=CC=C32

DOS

IR

Vibrations