Geometry & MOs

Info

ID:	448653
PubChem CID:	135292505
Reduced:	O2N5F6C19H23 (1)
Stoich.:	A2B5C6D19E23 (1)
Weight, g/mol:	496.129372
ΔH_f, kcal/mol:	-324.3
Dipole, Da:	4.11
IP(EA), eV:	-9.16(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[(Z)-3-oxo-3-[2-[2-(3-oxomorpholin-4-yl)acetyl]hydrazinyl]prop-1-enyl]amino]-3,5-bis(trifluoromethyl)benzenecarboximidamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NNC(/C=C\N1CN=C(N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)OC

DOS

IR

Vibrations