Geometry & MOs

Info

ID:	78386
PubChem CID:	49689353
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-81.46
Dipole, Da:	5.09
IP(EA), eV:	-8.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenoxy)-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3)OC

DOS

IR

Vibrations