Geometry & MOs

Info

ID:	151382
PubChem CID:	53801171
Reduced:	O2F3N4H21C24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	335.134443
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	4.11
IP(EA), eV:	-8.46(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethoxy-N-[5-methoxy-2-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=C(N=CN=C21)N)C3=CC=C(C=C3)OC4=C(C=CC=C4C(F)(F)F)C(=O)C

DOS

IR

Vibrations