Geometry & MOs

Info

ID:	328397
PubChem CID:	126705758
Reduced:	O2N4H28C33 (1)
Stoich.:	A2B4C28D33 (1)
Weight, g/mol:	551.34503
ΔH_f, kcal/mol:	226.52
Dipole, Da:	3.21
IP(EA), eV:	-8.32(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]docosan-1-one

Drug info:

PubChemData

Smile

CC(=C=C=C=C=C=C=C=C)CCC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43

DOS

IR

Vibrations