Geometry & MOs

Info

ID:	330033
PubChem CID:	127247020
Reduced:	N5C18H21 (1)
Stoich.:	A5B18C21 (1)
Weight, g/mol:	317.160023
ΔH_f, kcal/mol:	81.09
Dipole, Da:	3.87
IP(EA), eV:	-8.41(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)triazol-1-yl]-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2CC3=C4C=CNC4=CC=C3

DOS

IR

Vibrations