Geometry & MOs

Info

ID:	48237
PubChem CID:	10538175
Reduced:	NOH3C4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	243.087098
ΔH_f, kcal/mol:	10.57
Dipole, Da:	0.94
IP(EA), eV:	-9.05(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N=[N+]=[N-]

DOS

IR

Vibrations