Geometry & MOs

Info

ID:	329771
PubChem CID:	127246638
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	29.75
Dipole, Da:	4.04
IP(EA), eV:	-9.0(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=NOC(=C3)C)C

DOS

IR

Vibrations