Geometry & MOs

Info

ID:	329700
PubChem CID:	127246567
Reduced:	O3N5C14H17 (1)
Stoich.:	A3B5C14D17 (1)
Weight, g/mol:	305.104338
ΔH_f, kcal/mol:	-86.82
Dipole, Da:	6.13
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloropyrazol-1-yl)-1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CN3C(=O)CNC3=O

DOS

IR

Vibrations