Geometry & MOs

Info

ID:	78383
PubChem CID:	49689350
Reduced:	O3N5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	3.67
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CNC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)C(=O)C4=NC=CN=C4

DOS

IR

Vibrations