Geometry & MOs

Info

ID:	80501
PubChem CID:	49834791
Reduced:	NOBr2H9C15 (1)
Stoich.:	ABC2D9E15 (1)
Weight, g/mol:	373.107183
ΔH_f, kcal/mol:	32.64
Dipole, Da:	2.76
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxypiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)/C(=C\C3=CC(=CC(=C3)Br)Br)/C(=O)N2

DOS

IR

Vibrations