Geometry & MOs

Info

ID:	156585
PubChem CID:	56371237
Reduced:	O2F3N3C25H34 (1)
Stoich.:	A2B3C3D25E34 (1)
Weight, g/mol:	430.13682
ΔH_f, kcal/mol:	-253.4
Dipole, Da:	6.47
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations