Geometry & MOs

Info

ID:	178894
PubChem CID:	76397425
Reduced:	BrO2N5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	67.97
Dipole, Da:	10.19
IP(EA), eV:	-8.84(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)NC(=NC=C3C=C(C=CC3=O)Br)N)C=C1

DOS

IR

Vibrations