Geometry & MOs

Info

ID:	243990
PubChem CID:	99309122
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	394.273262
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	2.63
IP(EA), eV:	-8.65(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethyl-1-phenylpyrazol-4-yl)-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)CCC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations