Geometry & MOs

Info

ID:	172160
PubChem CID:	75472945
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	7.86
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-2-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=C(N=C(S2)N(C)C)C)C(=O)C

DOS

IR

Vibrations