Geometry & MOs

Info

ID:	319872
PubChem CID:	126657437
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	466.194023
ΔH_f, kcal/mol:	-183.32
Dipole, Da:	1.78
IP(EA), eV:	-9.42(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N'-[2-(3,3-dimethylmorpholin-4-yl)acetyl]-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCCC(C)(C)C1CCCO1

DOS

IR

Vibrations