Geometry & MOs

Info

ID:	356551
PubChem CID:	127291773
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-53.63
Dipole, Da:	3.86
IP(EA), eV:	-8.67(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C(C)(C)C)C(=O)N2CCN(CC2)CC3=NC(=C(O3)C)C

DOS

IR

Vibrations