Geometry & MOs

Info

ID:	371729
PubChem CID:	131271397
Reduced:	O2N3H7C9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	-5.81
Dipole, Da:	8.83
IP(EA), eV:	-11.06(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indazol-7-yl)butan-1-amine

Drug info:

PubChemData

Smile

C1CC2=C(C1)N=C(N=C2C#N)C(=O)O

DOS

IR

Vibrations