Geometry & MOs

Info

ID:	53385
PubChem CID:	14714065
Reduced:	SeN2C34H52 (1)
Stoich.:	AB2C34D52 (1)
Weight, g/mol:	473.05004
ΔH_f, kcal/mol:	11.26
Dipole, Da:	0.86
IP(EA), eV:	-7.95(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3,5-dibromophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCC[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)NC#N)[Se]C5=CC=CC=C5)C)C

DOS

IR

Vibrations