Geometry & MOs

Info

ID:	254012
PubChem CID:	103122175
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	-39.82
Dipole, Da:	8.43
IP(EA), eV:	-9.16(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-amino-N'-cyclopentyl-1-methylindazole-3-carboximidamide

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2CN3C(=C(N=N3)C(=O)O)CN)Br

DOS

IR

Vibrations