Geometry & MOs

Info

ID:	82616
PubChem CID:	49856248
Reduced:	O2F3N5H26C28 (1)
Stoich.:	A2B3C5D26E28 (1)
Weight, g/mol:	611.25081
ΔH_f, kcal/mol:	-123.84
Dipole, Da:	5.03
IP(EA), eV:	-8.81(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC2=CC=CC(=C2)C(F)(F)F)NC(=O)OCCN(CC3=CC=CC=N3)CC4=CC=CC=N4

DOS

IR

Vibrations