Geometry & MOs

Info

ID:	370742
PubChem CID:	127340101
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-93.2
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-cyclohexylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CCCC1C(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations