Geometry & MOs

Info

ID:	352665
PubChem CID:	127283754
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	362.268176
ΔH_f, kcal/mol:	-2.72
Dipole, Da:	2.47
IP(EA), eV:	-8.95(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)CC3=NC4=CC=CC=C4O3)C

DOS

IR

Vibrations