Geometry & MOs

Info

ID:	209858
PubChem CID:	80732346
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	282.124739
ΔH_f, kcal/mol:	-67.21
Dipole, Da:	2.29
IP(EA), eV:	-8.26(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(1-ethylpyrrolidin-2-yl)methylamino]-2-methylpyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CCC1CNC(CN1C2CC3CCC2O3)(CC)CC

DOS

IR

Vibrations