Geometry & MOs

Info

ID:	285232
PubChem CID:	104098744
Reduced:	N6C9H14 (1)
Stoich.:	A6B9C14 (1)
Weight, g/mol:	256.143645
ΔH_f, kcal/mol:	92.53
Dipole, Da:	5.56
IP(EA), eV:	-9.39(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylindazol-3-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=NC=C1CNCCN2C=CN=N2

DOS

IR

Vibrations