Geometry & MOs

Info

ID:	242446
PubChem CID:	96100122
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-104.82
Dipole, Da:	1.97
IP(EA), eV:	-9.17(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(1,3-thiazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)CC[C@H]3CCCCO3

DOS

IR

Vibrations