Geometry & MOs

Info

ID:	242455
PubChem CID:	96100223
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	2.88
IP(EA), eV:	-9.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)CCCC3=CC=CC=N3

DOS

IR

Vibrations