Geometry & MOs

Info

ID:	242456
PubChem CID:	96100224
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	0.53
Dipole, Da:	8.79
IP(EA), eV:	-9.17(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpyrazol-4-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N2CCO[C@@H](C2)C3=NNC(=N3)C

DOS

IR

Vibrations