Geometry & MOs

Info

ID:	379581
PubChem CID:	134447601
Reduced:	NH29C37 (1)
Stoich.:	AB29C37 (1)
Weight, g/mol:	262.142976
ΔH_f, kcal/mol:	133.92
Dipole, Da:	1.82
IP(EA), eV:	-8.46(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-ethoxy-6-methylpyrazin-2-yl)methyl]-5-methylpyrazol-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3CC4=CC=C(C=C4)C5=CC=CC=C5C6=CC(=CC=C6)N

DOS

IR

Vibrations