Geometry & MOs

Info

ID:	332232
PubChem CID:	127250518
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	434.206639
ΔH_f, kcal/mol:	8.55
Dipole, Da:	4.25
IP(EA), eV:	-8.78(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanoyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)C(=O)CCN4C=NN=N4

DOS

IR

Vibrations