Geometry & MOs

Info

ID:	433071
PubChem CID:	135173208
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	472.222289
ΔH_f, kcal/mol:	-54.08
Dipole, Da:	1.75
IP(EA), eV:	-8.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[(4S)-4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl]pyrimidin-2-yl]piperazin-1-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CCCC1(C2=C(C=C(C=C2)OC)C3=C1C=CC(=C3)OC)C

DOS

IR

Vibrations