Geometry & MOs

Info

ID:	138619
PubChem CID:	52395054
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-56.66
Dipole, Da:	1.87
IP(EA), eV:	-9.5(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4,6-trimethyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]phenyl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)N1CCC(=O)N2CCCC[C@@H]2C3=CN=CC=C3)C

DOS

IR

Vibrations