Geometry & MOs

Info

ID:	254544
PubChem CID:	103126028
Reduced:	SN2O2C8H14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-64.2
Dipole, Da:	6.5
IP(EA), eV:	-8.5(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CC(CCS(=O)C)N1C=CNC1=O

DOS

IR

Vibrations