Geometry & MOs

Info

ID:	433244
PubChem CID:	135173381
Reduced:	ON6H22C24 (1)
Stoich.:	AB6C22D24 (1)
Weight, g/mol:	410.185509
ΔH_f, kcal/mol:	132.1
Dipole, Da:	2.71
IP(EA), eV:	-8.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylideneamino)-5-(4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)-N-[(Z)-prop-1-enyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C/C=C\N(C1=NC=C(C=N1)C2=CC3=C(C=C2)N=C4N3C(COC4)C5=CC=CC=C5)N=C

DOS

IR

Vibrations