Geometry & MOs

Info

ID:	356548
PubChem CID:	127291770
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	391.283492
ΔH_f, kcal/mol:	1.26
Dipole, Da:	2.67
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4)C

DOS

IR

Vibrations