Geometry & MOs

Info

ID:	157580
PubChem CID:	56435835
Reduced:	FN3O3C26H34 (1)
Stoich.:	AB3C3D26E34 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-161.35
Dipole, Da:	1.81
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=C(C=C(C=C2)CNC(=O)C(C3=CC=CC=C3)NC(=O)CC(C)C)F

DOS

IR

Vibrations