Geometry & MOs

Info

ID:	273895
PubChem CID:	103805700
Reduced:	ClION2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	423.96426
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	2.76
IP(EA), eV:	-9.47(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dibromothiophen-3-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CNCC1NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations