Geometry & MOs

Info

ID:	325707
PubChem CID:	126684583
Reduced:	NSC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	19.16
Dipole, Da:	1.75
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-butan-2-ylpyrrolidin-3-yl)methyl]pyrimidine

Drug info:

PubChemData

Smile

CC(N1CCC(C1)CC2=CC=NC=C2)SS

DOS

IR

Vibrations