Geometry & MOs

Info

ID:	322677
PubChem CID:	126670794
Reduced:	ION2H21C28 (1)
Stoich.:	ABC2D21E28 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	77.53
Dipole, Da:	3.99
IP(EA), eV:	-8.51(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-di(propan-2-yl)furo[2,3-b][1,4]benzoxazin-3-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C(C3=CC=CC4=C3N2C5=C(C4=O)C=CC=N5)(C6=CC=CC=C6)I

DOS

IR

Vibrations