Geometry & MOs

Info

ID:	435587
PubChem CID:	135191870
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	437.195071
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	1.41
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-2-[(5-benzyl-1,2-oxazole-3-carbonyl)amino]propoxy]-3-(dimethylamino)benzoate

Drug info:

PubChemData

Smile

C/C(=N\N=C(/CCC=C)\C(=O)N[C@H]1COC2=CC=CC=C2N(C1=O)C)/CC3=CC=CC=C3

DOS

IR

Vibrations