Geometry & MOs

Info

ID:	253072
PubChem CID:	103115851
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	60.1
Dipole, Da:	4.47
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-aminobutyl)-1-methylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(C=C3)CN

DOS

IR

Vibrations