Geometry & MOs

Info

ID:	290760
PubChem CID:	110207745
Reduced:	N3O8H25C28 (1)
Stoich.:	A3B8C25D28 (1)
Weight, g/mol:	334.190595
ΔH_f, kcal/mol:	-258.31
Dipole, Da:	4.06
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylimidazol-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NCCN4C5=CC=CC=C5NC(=O)C4=O)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations