Geometry & MOs

Info

ID:	297669
PubChem CID:	117625193
Reduced:	NOH22C32 (2)
Stoich.:	ABC22D32 (2)
Weight, g/mol:	257.05276
ΔH_f, kcal/mol:	190.48
Dipole, Da:	2.84
IP(EA), eV:	-8.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-cyclopentyl-N,2-dimethylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)OC6=C5C=C(C=C6C7=CC=CC(=C7)C8=CC(=CC=C8)C9=NC=NC1=C9OC2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations