Geometry & MOs

Info

ID:	196958
PubChem CID:	78901491
Reduced:	FN5H20C21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	58.42
Dipole, Da:	5.47
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=NC=NC4=C3C=C(C=C4)F

DOS

IR

Vibrations