Geometry & MOs

Info

ID:	352893
PubChem CID:	127283983
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	390.263091
ΔH_f, kcal/mol:	-99.8
Dipole, Da:	4.5
IP(EA), eV:	-8.61(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CC3CCCC4=C3C=CC(=C4)OC)C

DOS

IR

Vibrations