Geometry & MOs

Info

ID:	329740
PubChem CID:	127246607
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	325.136117
ΔH_f, kcal/mol:	19.93
Dipole, Da:	4.07
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CN(C)CC3=CN=CC=C3

DOS

IR

Vibrations