Geometry & MOs

Info

ID:	190015
PubChem CID:	77942366
Reduced:	O2N3C25H39 (1)
Stoich.:	A2B3C25D39 (1)
Weight, g/mol:	409.13649
ΔH_f, kcal/mol:	-100.13
Dipole, Da:	5.81
IP(EA), eV:	-8.67(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-bromophenyl)pyrazolidin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(CC1CCN(CC1)C(=O)C2CC(NN2)C3=CC=C(C=C3)C4CCCCC4)O

DOS

IR

Vibrations