Geometry & MOs

Info

ID:	177241
PubChem CID:	76150841
Reduced:	O3N7C18H23 (1)
Stoich.:	A3B7C18D23 (1)
Weight, g/mol:	258.122909
ΔH_f, kcal/mol:	-47.75
Dipole, Da:	5.12
IP(EA), eV:	-8.97(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylpyrazin-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCN1C(=CC2=C1N(C(=O)N(C2=O)C)C)C(=O)N3CCC(C3)N4C=CN=N4

DOS

IR

Vibrations