Geometry & MOs

Info

ID:	188240
PubChem CID:	77687081
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	383.202048
ΔH_f, kcal/mol:	-81.26
Dipole, Da:	5.84
IP(EA), eV:	-8.73(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]-2-(2,2-dimethylpropylamino)propanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)N)C#N.C1CC(C(=C1)C(=O)NCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations