Geometry & MOs

Info

ID:	254719
PubChem CID:	103127140
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	90.07
Dipole, Da:	4.35
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindazol-3-yl)-(2-propylpyrazol-3-yl)methanamine

Drug info:

PubChemData

Smile

CCCN1C(=CC=N1)C(C2=C3C=CC=CN3N=C2)NCC

DOS

IR

Vibrations