Geometry & MOs

Info

ID:	131098
PubChem CID:	51155852
Reduced:	BrO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	380.141532
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	4.29
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCCC(=O)NCCCN2C=CN=C2)Br

DOS

IR

Vibrations