Geometry & MOs

Info

ID:	378806
PubChem CID:	134224906
Reduced:	N6H14C15 (1)
Stoich.:	A6B14C15 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	111.5
Dipole, Da:	4.16
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-dihydro-2,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine

Drug info:

PubChemData

Smile

CCC(C#N)NC1=NC(=NC=C1)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations