Geometry & MOs

Info

ID:	353231
PubChem CID:	127284411
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	6.67
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperazine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C=N1)C(=O)N2CCN(CC2)C(=O)C3=CNC(=O)C=C3

DOS

IR

Vibrations