Geometry & MOs

Info

ID:	185148
PubChem CID:	77261982
Reduced:	BrON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	444.213696
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	1.87
IP(EA), eV:	-10.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclopropyl)-4-methyl-2-[[2,2,2-trifluoro-1-[4-(2-methylpyridin-4-yl)phenyl]ethyl]amino]pentanamide

Drug info:

PubChemData

Smile

C1CC2C(CC1Br)C(=O)NC(N2)C3=CN=CC=C3

DOS

IR

Vibrations