Geometry & MOs

Info

ID:	233717
PubChem CID:	92093053
Reduced:	ON2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	388.099397
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	6.46
IP(EA), eV:	-8.53(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-pyridin-4-ylpyridin-3-yl)methyl]-4-(1,3-thiazol-2-yloxy)benzamide

Drug info:

PubChemData

Smile

COC1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=C(N=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations