Geometry & MOs

Info

ID:	420082
PubChem CID:	135111054
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-137.66
Dipole, Da:	8.35
IP(EA), eV:	-9.05(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCC[C@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations