Geometry & MOs

Info

ID:	330000
PubChem CID:	127246987
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	315.180758
ΔH_f, kcal/mol:	12.27
Dipole, Da:	2.93
IP(EA), eV:	-8.79(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations