Geometry & MOs

Info

ID:	179918
PubChem CID:	76555137
Reduced:	ClN2O10C28H29 (1)
Stoich.:	AB2C10D28E29 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-378.62
Dipole, Da:	1.36
IP(EA), eV:	-7.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-morpholin-4-yl-2-[(4-phenyl-1,3-benzoxazol-2-yl)methyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C(C=C2)N3C=CC4=C3C=CC(=C4)N)Cl)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations