Geometry & MOs

Info

ID:	123548
PubChem CID:	50853320
Reduced:	N2O3C10H14 (2)
Stoich.:	A2B3C10D14 (2)
Weight, g/mol:	309.108897
ΔH_f, kcal/mol:	-187.33
Dipole, Da:	6.73
IP(EA), eV:	-8.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(1-methylpyrrol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC[NH2+]CC.COC1=C(C(=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)C(=O)[O-])OC.O

DOS

IR

Vibrations