Geometry & MOs

Info

ID:	414307
PubChem CID:	135087263
Reduced:	O5N6C26H32 (1)
Stoich.:	A5B6C26D32 (1)
Weight, g/mol:	336.132136
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	5.68
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-hydroxy-3-methoxypropyl)-methylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=CC=CN4

DOS

IR

Vibrations