Geometry & MOs

Info

ID:	140109
PubChem CID:	52649184
Reduced:	N2F3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	463.208276
ΔH_f, kcal/mol:	-274.4
Dipole, Da:	4.62
IP(EA), eV:	-9.07(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(F)(F)F)NC(=O)/C=C/C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations