Geometry & MOs

Info

ID:	13710
PubChem CID:	397100
Reduced:	N2O2F3H17C24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	422.124212
ΔH_f, kcal/mol:	-129.3
Dipole, Da:	7.0
IP(EA), eV:	-9.25(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations