Geometry & MOs

Info

ID:	140803
PubChem CID:	52764177
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-27.99
Dipole, Da:	4.84
IP(EA), eV:	-9.02(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyrazol-1-yl)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC2=CC(=CC=C2)NC(=O)CC(C)C)Cl)C3=CC=CC=C3

DOS

IR

Vibrations