Geometry & MOs

Info

ID:	356568
PubChem CID:	127291794
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-25.69
Dipole, Da:	5.42
IP(EA), eV:	-8.8(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2C(=C(SC2=NC=C1)C(=O)N3CCN(CC3)CC4=NC(=C(O4)C)C)C

DOS

IR

Vibrations