Geometry & MOs

Info

ID:	79605
PubChem CID:	49829699
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	10.85
Dipole, Da:	10.23
IP(EA), eV:	-6.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-(2,6-dimethylmorpholin-4-ium-4-yl)-2-methylpropyl]-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1C[NH2+]C(C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations