Geometry & MOs

Info

ID:	13709
PubChem CID:	397099
Reduced:	N2O2F3H17C24 (1)
Stoich.:	A2B2C3D17E24 (1)
Weight, g/mol:	422.124212
ΔH_f, kcal/mol:	-129.14
Dipole, Da:	4.31
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=NC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations