Geometry & MOs

Info

ID:	274054
PubChem CID:	103806744
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-26.49
Dipole, Da:	2.38
IP(EA), eV:	-9.32(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-pyrrolidin-3-yltricyclo[3.2.1.02,4]octane-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCNC1)C(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations