Geometry & MOs

Info

ID:	162477
PubChem CID:	57394797
Reduced:	FO2N5C26H28 (1)
Stoich.:	AB2C5D26E28 (1)
Weight, g/mol:	309.111341
ΔH_f, kcal/mol:	-39.84
Dipole, Da:	4.65
IP(EA), eV:	-8.69(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CN=C(C=C2C(=O)N1C[C@H]3CCCN(C3)C(C)C)OC4=C5C(=C(C=C4)F)C=CC=N5

DOS

IR

Vibrations