Geometry & MOs

Info

ID:	217826
PubChem CID:	85088440
Reduced:	SO6C21H22 (1)
Stoich.:	AB6C21D22 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	-184.0
Dipole, Da:	5.66
IP(EA), eV:	-8.68(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,6-dimethoxy-4-(methoxyiminomethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(C3C(S2)CC(=O)O3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations