Geometry & MOs

Info

ID:	352887
PubChem CID:	127283977
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-37.87
Dipole, Da:	3.91
IP(EA), eV:	-9.21(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CCC3=CC=NC=C3)C

DOS

IR

Vibrations