Geometry & MOs

Info

ID:	306337
PubChem CID:	125003826
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-82.87
Dipole, Da:	2.85
IP(EA), eV:	-8.66(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-3-[(3R)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)[C@@H]2CN(CCO2)C(=O)CC3CCCC3)NC

DOS

IR

Vibrations