Geometry & MOs

Info

ID:	70840
PubChem CID:	48413937
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	348.135304
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	2.95
IP(EA), eV:	-9.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O

DOS

IR

Vibrations