Geometry & MOs

Info

ID:	322957
PubChem CID:	126671644
Reduced:	PO8H17C22 (1)
Stoich.:	AB8C17D22 (1)
Weight, g/mol:	339.180758
ΔH_f, kcal/mol:	-311.36
Dipole, Da:	7.19
IP(EA), eV:	-9.14(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[(5E)-5-ethylidene-1-(2-methoxyethyl)-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)imidazol-4-ylidene]methyl]ethanimine

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)C(=O)O)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)OP(=O)(O)O

DOS

IR

Vibrations