Geometry & MOs

Info

ID:	138647
PubChem CID:	52400079
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-75.05
Dipole, Da:	4.76
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-dimethyl-4-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)[C@H](C)NC(=O)C2=CC(=C(C=C2)OCC=C)OCC

DOS

IR

Vibrations