Geometry & MOs

Info

ID:	274159
PubChem CID:	103807426
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	421.94861
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	4.98
IP(EA), eV:	-8.97(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dibromothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC1CNC2CCN(CC2)C(=O)C3C4C3C5CCC4C5

DOS

IR

Vibrations