Geometry & MOs

Info

ID:	352375
PubChem CID:	127283462
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-55.75
Dipole, Da:	1.46
IP(EA), eV:	-8.97(-0.77)
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]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C)C

DOS

IR

Vibrations