Geometry & MOs

Info

ID:	370577
PubChem CID:	127339715
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	4.86
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-3-yl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCC(CC2)C3=CN(N=C3)C

DOS

IR

Vibrations