Geometry & MOs

Info

ID:	79821
PubChem CID:	49830601
Reduced:	O3N4H24C29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	27.46
Dipole, Da:	4.08
IP(EA), eV:	-8.51(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-butyl-6-pyridin-4-yl-1H-indazole-3,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(COC3=CN=CC(=C3)C4=CC5=C(C=C4)NC(=O)C5=CC6=CC=CO6)N

DOS

IR

Vibrations