Geometry & MOs

Info

ID:	319874
PubChem CID:	126657440
Reduced:	N2O5C22H30 (1)
Stoich.:	A2B5C22D30 (1)
Weight, g/mol:	464.139543
ΔH_f, kcal/mol:	-193.09
Dipole, Da:	5.84
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N'-[(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoyl]-3-methylbutanehydrazide

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C(=O)NCCC(=O)COCNCC1=CC=CC2=CC=CC=C21)O

DOS

IR

Vibrations