Geometry & MOs

Info

ID:	82615
PubChem CID:	49856247
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	521.20386
ΔH_f, kcal/mol:	49.54
Dipole, Da:	5.6
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(pyridin-2-ylmethyl)amino]ethyl N-[2-[3-(trifluoromethyl)anilino]phenyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCCN(CC2=CC=CC=N2)CC3=CC=CC=N3

DOS

IR

Vibrations