Geometry & MOs

Info

ID:	254591
PubChem CID:	103126363
Reduced:	N3C11H13 (1)
Stoich.:	A3B11C13 (1)
Weight, g/mol:	201.126598
ΔH_f, kcal/mol:	74.96
Dipole, Da:	2.85
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C=CCC(C1=C2C=CC=CN2N=C1)N

DOS

IR

Vibrations