Geometry & MOs

Info

ID:	255597
PubChem CID:	103133267
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	220.107259
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	5.91
IP(EA), eV:	-9.43(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-aminoethyl)triazol-4-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCCC(CCC(=O)C1=CC=CC2=C1C=NC=C2)CCN

DOS

IR

Vibrations