Geometry & MOs

Info

ID:	185150
PubChem CID:	77262064
Reduced:	F2O2N3C26H29 (1)
Stoich.:	A2B2C3D26E29 (1)
Weight, g/mol:	419.193295
ΔH_f, kcal/mol:	-103.9
Dipole, Da:	4.24
IP(EA), eV:	-9.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-cyanocyclopropyl)-[2,2,2-trifluoro-1-[4-(1H-pyrazol-5-yl)phenyl]ethyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C(C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C)C(F)F)C3(CC3)C#N)N

DOS

IR

Vibrations