Geometry & MOs

Info

ID:	349809
PubChem CID:	127276201
Reduced:	BrON4C17H25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	1.36
Dipole, Da:	5.17
IP(EA), eV:	-8.45(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methoxyphenyl)pyrazol-3-yl]-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2C(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations