Geometry & MOs

Info

ID:	70618
PubChem CID:	48413600
Reduced:	FON4C21H31 (1)
Stoich.:	ABC4D21E31 (1)
Weight, g/mol:	406.13682
ΔH_f, kcal/mol:	-64.68
Dipole, Da:	3.39
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-N-[5-(diethylamino)pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC(C)CCCN(CC)CC

DOS

IR

Vibrations