Geometry & MOs

Info

ID:	359343
PubChem CID:	127298392
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	3.56
IP(EA), eV:	-8.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperazin-1-yl)-2-[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)CN3CC4=CC=CC=C4C3=O

DOS

IR

Vibrations