Geometry & MOs

Info

ID:	329691
PubChem CID:	126922014
Reduced:	N7C18H21 (1)
Stoich.:	A7B18C21 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	146.44
Dipole, Da:	7.64
IP(EA), eV:	-9.23(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-propylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C1)C2=NN=C3N2N=C(C=C3)N4CC(C4)CNC5=CC=NC=C5

DOS

IR

Vibrations