Geometry & MOs

Info

ID:	331736
PubChem CID:	127250020
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	423.207053
ΔH_f, kcal/mol:	-13.5
Dipole, Da:	3.11
IP(EA), eV:	-9.11(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[2-[6-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)C(=O)CCN4C(=NC(=N4)C)C

DOS

IR

Vibrations