Geometry & MOs

Info

ID:	329694
PubChem CID:	127246561
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	300.169859
ΔH_f, kcal/mol:	-15.33
Dipole, Da:	5.62
IP(EA), eV:	-9.4(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=C(ON=C3C)C

DOS

IR

Vibrations