Geometry & MOs

Info

ID:	158353
PubChem CID:	56463487
Reduced:	FOSN2C18H21 (1)
Stoich.:	ABCD2E18F21 (1)
Weight, g/mol:	404.12117
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	4.55
IP(EA), eV:	-8.91(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=C(S1)C2=CC=CC=C2F)N(C)C3CC3

DOS

IR

Vibrations