Geometry & MOs

Info

ID:	174948
PubChem CID:	75837349
Reduced:	O2N3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	340.202502
ΔH_f, kcal/mol:	-28.44
Dipole, Da:	6.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.174228
Charge, e:	1

Chem-info

IUPAC name:

[2,4-bis(prop-2-enoxy)phenyl]methyl-methyl-(1-pyrimidin-4-ylethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C)C)C[NH+]2CCCC2CN3C=CC=N3

DOS

IR

Vibrations