Geometry & MOs

Info

ID:	285262
PubChem CID:	104098872
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	206.127994
ΔH_f, kcal/mol:	106.36
Dipole, Da:	6.4
IP(EA), eV:	-9.1(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-4-yl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C#N)CNCCN2C=CN=N2

DOS

IR

Vibrations