Geometry & MOs

Info

ID:	156881
PubChem CID:	56394826
Reduced:	N2O2C13H14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-46.67
Dipole, Da:	5.53
IP(EA), eV:	-8.5(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]phenyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)NC4CCN(CC4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations